[2-[(2-cyano-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-chloranyl-5-(dimethylsulfamoyl)benzoate

Systemtic Name: [2-[(2-cyano-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-chloranyl-5-(dimethylsulfamoyl)benzoate Openeye Name: [2-(2-cyano-4-nitro-anilino)-2-oxo-ethyl] 2-chloro-5-(dimethylsulfamoyl)benzoate CAS Name: 2-chloro-5-(dimethylsulfamoyl)benzoic acid [2-(2-cyano-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyano-4-nitroanilino)-2-oxoethyl] 2-chloro-5-(dimethylsulfamoyl)benzoate Traditional Name: 2-chloro-5-(dimethylsulfamoyl)benzoic acid [2-(2-cyano-4-nitro-anilino)-2-keto-ethyl] ester Formula: C18H15ClN4O7S MolecularWeight: 466.8523

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC(=C(C=C1)Cl)C(=O)OCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C#N

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC(=C(C=C1)Cl)C(=O)OCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C#N

InChI

InChI=1S/C18H15ClN4O7S/c1-22(2)31(28,29)13-4-5-15(19)14(8-13)18(25)30-10-17(24)21-16-6-3-12(23(26)27)7-11(16)9-20/h3-8H,10H2,1-2H3,(H,21,24)