5-[4-nitro-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]-N3-[2-[2-[5-nitro-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]ethylamino]ethyl]-N1-[3-[3-[5-nitro-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]propylamino]propyl]benzene-1,3-dicarboxamide

Systemtic Name: 5-[4-nitro-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]-N3-[2-[2-[5-nitro-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]ethylamino]ethyl]-N1-[3-[3-[5-nitro-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]propylamino]propyl]benzene-1,3-dicarboxamide Openeye Name: 5-(4-nitro-1,3-dioxo-benzo[de]isoquinolin-2-yl)-N3-[2-[2-(5-nitro-1,3-dioxo-benzo[de]isoquinolin-2-yl)ethylamino]ethyl]-N1-[3-[3-(5-nitro-1,3-dioxo-benzo[de]isoquinolin-2-yl)propylamino]propyl]benzene-1,3-dicarboxamide CAS Name: 5-(4-nitro-1,3-dioxo-2-benzo[de]isoquinolinyl)-N3-[2-[2-(5-nitro-1,3-dioxo-2-benzo[de]isoquinolinyl)ethylamino]ethyl]-N1-[3-[3-(5-nitro-1,3-dioxo-2-benzo[de]isoquinolinyl)propylamino]propyl]benzene-1,3-dicarboxamide IUPAC Name: 5-(4-nitro-1,3-dioxobenzo[de]isoquinolin-2-yl)-3-N-[2-[2-(5-nitro-1,3-dioxobenzo[de]isoquinolin-2-yl)ethylamino]ethyl]-1-N-[3-[3-(5-nitro-1,3-dioxobenzo[de]isoquinolin-2-yl)propylamino]propyl]benzene-1,3-dicarboxamide Traditional Name: 5-(1,3-diketo-4-nitro-benzo[de]isoquinolin-2-yl)-N'-[2-[2-(1,3-diketo-5-nitro-benzo[de]isoquinolin-2-yl)ethylamino]ethyl]-N-[3-[3-(1,3-diketo-5-nitro-benzo[de]isoquinolin-2-yl)propylamino]propyl]isophthalamide Formula: C54H42N10O14 MolecularWeight: 1054.96988

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=C(C=C2)[N+](=O)[O-])C4=CC(=CC(=C4)C(=O)NCCNCCN5C(=O)C6=CC=CC7=CC(=CC(=C76)C5=O)[N+](=O)[O-])C(=O)NCCCNCCCN8C(=O)C9=CC=CC1=CC(=CC(=C19)C8=O)[N+](=O)[O-]

Isomeric SMILES

C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=C(C=C2)[N+](=O)[O-])C4=CC(=CC(=C4)C(=O)NCCNCCN5C(=O)C6=CC=CC7=CC(=CC(=C76)C5=O)[N+](=O)[O-])C(=O)NCCCNCCCN8C(=O)C9=CC=CC1=CC(=CC(=C19)C8=O)[N+](=O)[O-]

InChI

InChI=1S/C54H42N10O14/c65-47(57-16-4-14-55-15-5-20-59-49(67)37-9-2-7-30-23-35(62(73)74)27-40(43(30)37)51(59)69)32-22-33(26-34(25-32)61-53(71)39-11-1-6-29-12-13-42(64(77)78)46(45(29)39)54(61)72)48(66)58-18-17-56-19-21-60-50(68)38-10-3-8-31-24-36(63(75)76)28-41(44(31)38)52(60)70/h1-3,6-13,22-28,55-56H,4-5,14-21H2,(H,57,65)(H,58,66)