[2-[(2-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-(propan-2-ylsulfamoyl)benzoate

Systemtic Name: [2-[(2-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-(propan-2-ylsulfamoyl)benzoate Openeye Name: [2-(2-methyl-3-nitro-anilino)-2-oxo-ethyl] 3-(isopropylsulfamoyl)benzoate CAS Name: 3-(propan-2-ylsulfamoyl)benzoic acid [2-(2-methyl-3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-3-nitroanilino)-2-oxoethyl] 3-(propan-2-ylsulfamoyl)benzoate Traditional Name: 3-(isopropylsulfamoyl)benzoic acid [2-keto-2-(2-methyl-3-nitro-anilino)ethyl] ester Formula: C19H21N3O7S MolecularWeight: 435.45094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)NC(C)C

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)NC(C)C

InChI

InChI=1S/C19H21N3O7S/c1-12(2)21-30(27,28)15-7-4-6-14(10-15)19(24)29-11-18(23)20-16-8-5-9-17(13(16)3)22(25)26/h4-10,12,21H,11H2,1-3H3,(H,20,23)