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

Systemtic Name: [1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(diethylsulfamoyl)-4-methoxy-benzoate Openeye Name: [1-methyl-2-(2-nitroanilino)-2-oxo-ethyl] 3-(diethylsulfamoyl)-4-methoxy-benzoate CAS Name: 3-(diethylsulfamoyl)-4-methoxybenzoic acid [1-(2-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-nitroanilino)-1-oxopropan-2-yl] 3-(diethylsulfamoyl)-4-methoxybenzoate Traditional Name: 3-(diethylsulfamoyl)-4-methoxy-benzoic acid [2-keto-1-methyl-2-(2-nitroanilino)ethyl] ester Formula: C21H25N3O8S MolecularWeight: 479.5035

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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-])OC

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-])OC

InChI

InChI=1S/C21H25N3O8S/c1-5-23(6-2)33(29,30)19-13-15(11-12-18(19)31-4)21(26)32-14(3)20(25)22-16-9-7-8-10-17(16)24(27)28/h7-14H,5-6H2,1-4H3,(H,22,25)