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

Systemtic Name: [2-[(2-cyano-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-chloranyl-5-(diethylsulfamoyl)benzoate Openeye Name: [2-(2-cyano-4-nitro-anilino)-2-oxo-ethyl] 2-chloro-5-(diethylsulfamoyl)benzoate CAS Name: 2-chloro-5-(diethylsulfamoyl)benzoic acid [2-(2-cyano-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyano-4-nitroanilino)-2-oxoethyl] 2-chloro-5-(diethylsulfamoyl)benzoate Traditional Name: 2-chloro-5-(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=CC(=C(C=C1)Cl)C(=O)OCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C#N

Isomeric SMILES

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