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

Systemtic Name: [2-[(4-methyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-(diethylsulfamoyl)-4-methyl-benzoate Openeye Name: [2-(4-methyl-2-nitro-anilino)-2-oxo-ethyl] 3-(diethylsulfamoyl)-4-methyl-benzoate CAS Name: 3-(diethylsulfamoyl)-4-methylbenzoic acid [2-(4-methyl-2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-2-nitroanilino)-2-oxoethyl] 3-(diethylsulfamoyl)-4-methylbenzoate Traditional Name: 3-(diethylsulfamoyl)-4-methyl-benzoic acid [2-keto-2-(4-methyl-2-nitro-anilino)ethyl] ester Formula: C21H25N3O7S MolecularWeight: 463.5041

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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)C)[N+](=O)[O-])C

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O7S/c1-5-23(6-2)32(29,30)19-12-16(9-8-15(19)4)21(26)31-13-20(25)22-17-10-7-14(3)11-18(17)24(27)28/h7-12H,5-6,13H2,1-4H3,(H,22,25)