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

Systemtic Name: 4-[2-(3-methyl-4-nitro-phenyl)-1,3-bis(oxidanylidene)isoindol-5-yl]sulfonylbenzoic acid Openeye Name: 4-[2-(3-methyl-4-nitro-phenyl)-1,3-dioxo-isoindolin-5-yl]sulfonylbenzoic acid CAS Name: 4-[[2-(3-methyl-4-nitrophenyl)-1,3-dioxo-5-isoindolyl]sulfonyl]benzoic acid IUPAC Name: 4-[2-(3-methyl-4-nitrophenyl)-1,3-dioxoisoindol-5-yl]sulfonylbenzoic acid Traditional Name: 4-[1,3-diketo-2-(3-methyl-4-nitro-phenyl)isoindolin-5-yl]sulfonylbenzoic acid Formula: C22H14N2O8S MolecularWeight: 466.42016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=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

CC1=C(C=CC(=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/C22H14N2O8S/c1-12-10-14(4-9-19(12)24(29)30)23-20(25)17-8-7-16(11-18(17)21(23)26)33(31,32)15-5-2-13(3-6-15)22(27)28/h2-11H,1H3,(H,27,28)