[1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-chloranyl-3-(diethylsulfamoyl)benzoate

Systemtic Name: [1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-chloranyl-3-(diethylsulfamoyl)benzoate Openeye Name: [1-methyl-2-(3-nitroanilino)-2-oxo-ethyl] 4-chloro-3-(diethylsulfamoyl)benzoate CAS Name: 4-chloro-3-(diethylsulfamoyl)benzoic acid [1-(3-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-nitroanilino)-1-oxopropan-2-yl] 4-chloro-3-(diethylsulfamoyl)benzoate Traditional Name: 4-chloro-3-(diethylsulfamoyl)benzoic acid [2-keto-1-methyl-2-(3-nitroanilino)ethyl] ester Formula: C20H22ClN3O7S MolecularWeight: 483.92258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClN3O7S/c1-4-23(5-2)32(29,30)18-11-14(9-10-17(18)21)20(26)31-13(3)19(25)22-15-7-6-8-16(12-15)24(27)28/h6-13H,4-5H2,1-3H3,(H,22,25)