2-[4-(4-nitrophenyl)sulfanylphenyl]-1,3-bis(oxidanylidene)isoindole-5-carboxylic acid

Systemtic Name: 2-[4-(4-nitrophenyl)sulfanylphenyl]-1,3-bis(oxidanylidene)isoindole-5-carboxylic acid Openeye Name: 2-[4-(4-nitrophenyl)sulfanylphenyl]-1,3-dioxo-isoindoline-5-carboxylic acid CAS Name: 2-[4-[(4-nitrophenyl)thio]phenyl]-1,3-dioxo-5-isoindolecarboxylic acid IUPAC Name: 2-[4-(4-nitrophenyl)sulfanylphenyl]-1,3-dioxoisoindole-5-carboxylic acid Traditional Name: 1,3-diketo-2-[4-[(4-nitrophenyl)thio]phenyl]isoindoline-5-carboxylic acid Formula: C21H12N2O6S MolecularWeight: 420.39478

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)O)SC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)O)SC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H12N2O6S/c24-19-17-10-1-12(21(26)27)11-18(17)20(25)22(19)13-2-6-15(7-3-13)30-16-8-4-14(5-9-16)23(28)29/h1-11H,(H,26,27)