[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] 4-[(3-nitrophenyl)sulfonylamino]-2-oxidanyl-benzoate

Systemtic Name: [2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] 4-[(3-nitrophenyl)sulfonylamino]-2-oxidanyl-benzoate Openeye Name: [2-(3-cyanoanilino)-2-oxo-ethyl] 2-hydroxy-4-[(3-nitrophenyl)sulfonylamino]benzoate CAS Name: 2-hydroxy-4-[(3-nitrophenyl)sulfonylamino]benzoic acid [2-(3-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-cyanoanilino)-2-oxoethyl] 2-hydroxy-4-[(3-nitrophenyl)sulfonylamino]benzoate Traditional Name: 2-hydroxy-4-[(3-nitrophenyl)sulfonylamino]benzoic acid [2-(3-cyanoanilino)-2-keto-ethyl] ester Formula: C22H16N4O8S MolecularWeight: 496.44944

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)COC(=O)C2=C(C=C(C=C2)NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])O)C#N

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)COC(=O)C2=C(C=C(C=C2)NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])O)C#N

InChI

InChI=1S/C22H16N4O8S/c23-12-14-3-1-4-15(9-14)24-21(28)13-34-22(29)19-8-7-16(10-20(19)27)25-35(32,33)18-6-2-5-17(11-18)26(30)31/h1-11,25,27H,13H2,(H,24,28)