[2-(methylamino)-2-oxidanylidene-ethyl] 2-(4-chlorophenyl)sulfanyl-5-nitro-benzoate

Systemtic Name: [2-(methylamino)-2-oxidanylidene-ethyl] 2-(4-chlorophenyl)sulfanyl-5-nitro-benzoate Openeye Name: [2-(methylamino)-2-oxo-ethyl] 2-(4-chlorophenyl)sulfanyl-5-nitro-benzoate CAS Name: 2-[(4-chlorophenyl)thio]-5-nitrobenzoic acid [2-(methylamino)-2-oxoethyl] ester IUPAC Name: [2-(methylamino)-2-oxoethyl] 2-(4-chlorophenyl)sulfanyl-5-nitrobenzoate Traditional Name: 2-[(4-chlorophenyl)thio]-5-nitro-benzoic acid [2-keto-2-(methylamino)ethyl] ester Formula: C16H13ClN2O5S MolecularWeight: 380.80282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])SC2=CC=C(C=C2)Cl

Isomeric SMILES

CNC(=O)COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])SC2=CC=C(C=C2)Cl

InChI

InChI=1S/C16H13ClN2O5S/c1-18-15(20)9-24-16(21)13-8-11(19(22)23)4-7-14(13)25-12-5-2-10(17)3-6-12/h2-8H,9H2,1H3,(H,18,20)