[2-[4-(4-methylphenyl)sulfonyloxyphenyl]-2-oxidanylidene-ethyl] 4-[(3-nitrophenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: [2-[4-(4-methylphenyl)sulfonyloxyphenyl]-2-oxidanylidene-ethyl] 4-[(3-nitrophenyl)amino]-4-oxidanylidene-butanoate Openeye Name: [2-oxo-2-[4-(p-tolylsulfonyloxy)phenyl]ethyl] 4-(3-nitroanilino)-4-oxo-butanoate CAS Name: 4-(3-nitroanilino)-4-oxobutanoic acid [2-[4-(4-methylphenyl)sulfonyloxyphenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-methylphenyl)sulfonyloxyphenyl]-2-oxoethyl] 4-(3-nitroanilino)-4-oxobutanoate Traditional Name: 4-keto-4-(3-nitroanilino)butyric acid [2-keto-2-(4-tosyloxyphenyl)ethyl] ester Formula: C25H22N2O9S MolecularWeight: 526.51518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C(=O)COC(=O)CCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C(=O)COC(=O)CCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C25H22N2O9S/c1-17-5-11-22(12-6-17)37(33,34)36-21-9-7-18(8-10-21)23(28)16-35-25(30)14-13-24(29)26-19-3-2-4-20(15-19)27(31)32/h2-12,15H,13-14,16H2,1H3,(H,26,29)