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

Systemtic Name: [2-[(2-methyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-(diethylsulfamoyl)benzoate Openeye Name: [2-(2-methyl-4-nitro-anilino)-2-oxo-ethyl] 3-(diethylsulfamoyl)benzoate CAS Name: 3-(diethylsulfamoyl)benzoic acid [2-(2-methyl-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-4-nitroanilino)-2-oxoethyl] 3-(diethylsulfamoyl)benzoate Traditional Name: 3-(diethylsulfamoyl)benzoic acid [2-keto-2-(2-methyl-4-nitro-anilino)ethyl] ester Formula: C20H23N3O7S MolecularWeight: 449.47752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O7S/c1-4-22(5-2)31(28,29)17-8-6-7-15(12-17)20(25)30-13-19(24)21-18-10-9-16(23(26)27)11-14(18)3/h6-12H,4-5,13H2,1-3H3,(H,21,24)