[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] 4-[(4-chloranyl-3-nitro-phenyl)sulfonylamino]benzoate

Systemtic Name: [2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] 4-[(4-chloranyl-3-nitro-phenyl)sulfonylamino]benzoate Openeye Name: [2-(3-cyanoanilino)-2-oxo-ethyl] 4-[(4-chloro-3-nitro-phenyl)sulfonylamino]benzoate CAS Name: 4-[(4-chloro-3-nitrophenyl)sulfonylamino]benzoic acid [2-(3-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-cyanoanilino)-2-oxoethyl] 4-[(4-chloro-3-nitrophenyl)sulfonylamino]benzoate Traditional Name: 4-[(4-chloro-3-nitro-phenyl)sulfonylamino]benzoic acid [2-(3-cyanoanilino)-2-keto-ethyl] ester Formula: C22H15ClN4O7S MolecularWeight: 514.8951

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H15ClN4O7S/c23-19-9-8-18(11-20(19)27(30)31)35(32,33)26-16-6-4-15(5-7-16)22(29)34-13-21(28)25-17-3-1-2-14(10-17)12-24/h1-11,26H,13H2,(H,25,28)