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

Systemtic Name: 3-[6-nitro-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]propyl ethanoate Openeye Name: 3-(6-nitro-1,3-dioxo-benzo[de]isoquinolin-2-yl)propyl acetate CAS Name: acetic 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 acetate Traditional Name: acetic acid 3-(1,3-diketo-6-nitro-benzo[de]isoquinolin-2-yl)propyl ester Formula: C17H14N2O6 MolecularWeight: 342.30286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14N2O6/c1-10(20)25-9-3-8-18-16(21)12-5-2-4-11-14(19(23)24)7-6-13(15(11)12)17(18)22/h2,4-7H,3,8-9H2,1H3