3-[[2-(4-nitrophenyl)-1,3-bis(oxidanylidene)isoindol-5-yl]carbonylamino]benzoic acid

Systemtic Name: 3-[[2-(4-nitrophenyl)-1,3-bis(oxidanylidene)isoindol-5-yl]carbonylamino]benzoic acid Openeye Name: 3-[[2-(4-nitrophenyl)-1,3-dioxo-isoindoline-5-carbonyl]amino]benzoic acid CAS Name: 3-[[[2-(4-nitrophenyl)-1,3-dioxo-5-isoindolyl]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[[2-(4-nitrophenyl)-1,3-dioxoisoindole-5-carbonyl]amino]benzoic acid Traditional Name: 3-[[1,3-diketo-2-(4-nitrophenyl)isoindoline-5-carbonyl]amino]benzoic acid Formula: C22H13N3O7 MolecularWeight: 431.35452

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C4=CC=C(C=C4)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C4=CC=C(C=C4)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C22H13N3O7/c26-19(23-14-3-1-2-13(10-14)22(29)30)12-4-9-17-18(11-12)21(28)24(20(17)27)15-5-7-16(8-6-15)25(31)32/h1-11H,(H,23,26)(H,29,30)