3-[6-nitro-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]propyl propanoate

Systemtic Name: 3-[6-nitro-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]propyl propanoate Openeye Name: 3-(6-nitro-1,3-dioxo-benzo[de]isoquinolin-2-yl)propyl propanoate CAS Name: propanoic acid 3-(6-nitro-1,3-dioxo-2-benzo[de]isoquinolinyl)propyl ester IUPAC Name: 3-(6-nitro-1,3-dioxobenzo[de]isoquinolin-2-yl)propyl propanoate Traditional Name: propionic acid 3-(1,3-diketo-6-nitro-benzo[de]isoquinolin-2-yl)propyl ester Formula: C18H16N2O6 MolecularWeight: 356.32944

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OCCCN1C(=O)C2=C3C(=C(C=C2)[N+](=O)[O-])C=CC=C3C1=O

Isomeric SMILES

CCC(=O)OCCCN1C(=O)C2=C3C(=C(C=C2)[N+](=O)[O-])C=CC=C3C1=O

InChI

InChI=1S/C18H16N2O6/c1-2-15(21)26-10-4-9-19-17(22)12-6-3-5-11-14(20(24)25)8-7-13(16(11)12)18(19)23/h3,5-8H,2,4,9-10H2,1H3