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

Systemtic Name: 3-[[4-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]phenyl]carbonylamino]benzoic acid Openeye Name: 3-[[4-(5-nitro-1,3-dioxo-isoindolin-2-yl)benzoyl]amino]benzoic acid CAS Name: 3-[[[4-(5-nitro-1,3-dioxo-2-isoindolyl)phenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[[4-(5-nitro-1,3-dioxoisoindol-2-yl)benzoyl]amino]benzoic acid Traditional Name: 3-[[4-(1,3-diketo-5-nitro-isoindolin-2-yl)benzoyl]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=CC=C(C=C2)N3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)C2=CC=C(C=C2)N3C(=O)C4=C(C3=O)C=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)12-4-6-15(7-5-12)24-20(27)17-9-8-16(25(31)32)11-18(17)21(24)28/h1-11H,(H,23,26)(H,29,30)