[2-[(2-cyano-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-chloranyl-3-(diethylsulfamoyl)benzoate

Systemtic Name: [2-[(2-cyano-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-chloranyl-3-(diethylsulfamoyl)benzoate Openeye Name: [2-(2-cyano-4-nitro-anilino)-2-oxo-ethyl] 4-chloro-3-(diethylsulfamoyl)benzoate CAS Name: 4-chloro-3-(diethylsulfamoyl)benzoic acid [2-(2-cyano-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyano-4-nitroanilino)-2-oxoethyl] 4-chloro-3-(diethylsulfamoyl)benzoate Traditional Name: 4-chloro-3-(diethylsulfamoyl)benzoic acid [2-(2-cyano-4-nitro-anilino)-2-keto-ethyl] ester Formula: C20H19ClN4O7S MolecularWeight: 494.90546

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19ClN4O7S/c1-3-24(4-2)33(30,31)18-10-13(5-7-16(18)21)20(27)32-12-19(26)23-17-8-6-15(25(28)29)9-14(17)11-22/h5-10H,3-4,12H2,1-2H3,(H,23,26)