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

Systemtic Name: 4-[[2-(3-nitrophenyl)-1,3-bis(oxidanylidene)isoindol-5-yl]carbonylamino]benzoic acid Openeye Name: 4-[[2-(3-nitrophenyl)-1,3-dioxo-isoindoline-5-carbonyl]amino]benzoic acid CAS Name: 4-[[[2-(3-nitrophenyl)-1,3-dioxo-5-isoindolyl]-oxomethyl]amino]benzoic acid IUPAC Name: 4-[[2-(3-nitrophenyl)-1,3-dioxoisoindole-5-carbonyl]amino]benzoic acid Traditional Name: 4-[[1,3-diketo-2-(3-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)[N+](=O)[O-])N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC4=CC=C(C=C4)C(=O)O

InChI

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