4-[[4-nitro-1,3-bis(oxidanylidene)benzo[e]isoindol-2-yl]methyl]benzoic acid

Systemtic Name: 4-[[4-nitro-1,3-bis(oxidanylidene)benzo[e]isoindol-2-yl]methyl]benzoic acid Openeye Name: 4-[(4-nitro-1,3-dioxo-benzo[e]isoindol-2-yl)methyl]benzoic acid CAS Name: 4-[(4-nitro-1,3-dioxo-2-benzo[e]isoindolyl)methyl]benzoic acid IUPAC Name: 4-[(4-nitro-1,3-dioxobenzo[e]isoindol-2-yl)methyl]benzoic acid Traditional Name: 4-[(1,3-diketo-4-nitro-benz[e]isoindol-2-yl)methyl]benzoic acid Formula: C20H12N2O6 MolecularWeight: 376.31908

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C3=C2C(=O)N(C3=O)CC4=CC=C(C=C4)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C3=C2C(=O)N(C3=O)CC4=CC=C(C=C4)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C20H12N2O6/c23-18-16-14-4-2-1-3-13(14)9-15(22(27)28)17(16)19(24)21(18)10-11-5-7-12(8-6-11)20(25)26/h1-9H,10H2,(H,25,26)