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

Systemtic Name: 4-[2-(2-nitrophenyl)-1,3-bis(oxidanylidene)isoindol-5-yl]sulfonylbenzoic acid Openeye Name: 4-[2-(2-nitrophenyl)-1,3-dioxo-isoindolin-5-yl]sulfonylbenzoic acid CAS Name: 4-[[2-(2-nitrophenyl)-1,3-dioxo-5-isoindolyl]sulfonyl]benzoic acid IUPAC Name: 4-[2-(2-nitrophenyl)-1,3-dioxoisoindol-5-yl]sulfonylbenzoic acid Traditional Name: 4-[1,3-diketo-2-(2-nitrophenyl)isoindolin-5-yl]sulfonylbenzoic acid Formula: C21H12N2O8S MolecularWeight: 452.39358

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H12N2O8S/c24-19-15-10-9-14(32(30,31)13-7-5-12(6-8-13)21(26)27)11-16(15)20(25)22(19)17-3-1-2-4-18(17)23(28)29/h1-11H,(H,26,27)