[1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl] 2-(4-chlorophenyl)sulfanyl-5-nitro-benzoate

Systemtic Name: [1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl] 2-(4-chlorophenyl)sulfanyl-5-nitro-benzoate Openeye Name: [2-(isopropylamino)-1-methyl-2-oxo-ethyl] 2-(4-chlorophenyl)sulfanyl-5-nitro-benzoate CAS Name: 2-[(4-chlorophenyl)thio]-5-nitrobenzoic acid [1-oxo-1-(propan-2-ylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(propan-2-ylamino)propan-2-yl] 2-(4-chlorophenyl)sulfanyl-5-nitrobenzoate Traditional Name: 2-[(4-chlorophenyl)thio]-5-nitro-benzoic acid [2-(isopropylamino)-2-keto-1-methyl-ethyl] ester Formula: C19H19ClN2O5S MolecularWeight: 422.88256

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C(C)OC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])SC2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C)NC(=O)C(C)OC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])SC2=CC=C(C=C2)Cl

InChI

InChI=1S/C19H19ClN2O5S/c1-11(2)21-18(23)12(3)27-19(24)16-10-14(22(25)26)6-9-17(16)28-15-7-4-13(20)5-8-15/h4-12H,1-3H3,(H,21,23)