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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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