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

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

Isomeric SMILES

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

InChI

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