2-[4-(4,9-diethoxy-6-nitro-1-oxidanylidene-3H-benzo[f]isoindol-2-yl)phenyl]ethanoic acid

Systemtic Name: 2-[4-(4,9-diethoxy-6-nitro-1-oxidanylidene-3H-benzo[f]isoindol-2-yl)phenyl]ethanoic acid Openeye Name: 2-[4-(4,9-diethoxy-6-nitro-1-oxo-3H-benzo[f]isoindol-2-yl)phenyl]acetic acid CAS Name: 2-[4-(4,9-diethoxy-6-nitro-1-oxo-3H-benzo[f]isoindol-2-yl)phenyl]acetic acid IUPAC Name: 2-[4-(4,9-diethoxy-6-nitro-1-oxo-3H-benzo[f]isoindol-2-yl)phenyl]acetic acid Traditional Name: 2-[4-(4,9-diethoxy-1-keto-6-nitro-3H-benz[f]isoindol-2-yl)phenyl]acetic acid Formula: C24H22N2O7 MolecularWeight: 450.44068

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C2CN(C(=O)C2=C(C3=C1C=C(C=C3)[N+](=O)[O-])OCC)C4=CC=C(C=C4)CC(=O)O

Isomeric SMILES

CCOC1=C2CN(C(=O)C2=C(C3=C1C=C(C=C3)[N+](=O)[O-])OCC)C4=CC=C(C=C4)CC(=O)O

InChI

InChI=1S/C24H22N2O7/c1-3-32-22-18-12-16(26(30)31)9-10-17(18)23(33-4-2)21-19(22)13-25(24(21)29)15-7-5-14(6-8-15)11-20(27)28/h5-10,12H,3-4,11,13H2,1-2H3,(H,27,28)