[2-[[2-(4-chlorophenyl)sulfanylphenyl]amino]-2-oxidanylidene-ethyl] 2-methyl-3-nitro-benzoate

Systemtic Name: [2-[[2-(4-chlorophenyl)sulfanylphenyl]amino]-2-oxidanylidene-ethyl] 2-methyl-3-nitro-benzoate Openeye Name: [2-[2-(4-chlorophenyl)sulfanylanilino]-2-oxo-ethyl] 2-methyl-3-nitro-benzoate CAS Name: 2-methyl-3-nitrobenzoic acid [2-[2-[(4-chlorophenyl)thio]anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-chlorophenyl)sulfanylanilino]-2-oxoethyl] 2-methyl-3-nitrobenzoate Traditional Name: 2-methyl-3-nitro-benzoic acid [2-[2-[(4-chlorophenyl)thio]anilino]-2-keto-ethyl] ester Formula: C22H17ClN2O5S MolecularWeight: 456.89878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)OCC(=O)NC2=CC=CC=C2SC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)OCC(=O)NC2=CC=CC=C2SC3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H17ClN2O5S/c1-14-17(5-4-7-19(14)25(28)29)22(27)30-13-21(26)24-18-6-2-3-8-20(18)31-16-11-9-15(23)10-12-16/h2-12H,13H2,1H3,(H,24,26)