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

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

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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=CC(=CC=C2)[N+](=O)[O-])C

Isomeric SMILES

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

InChI

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