[2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl] 2-(4-chlorophenyl)sulfanyl-5-nitro-benzoate

Systemtic Name: [2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl] 2-(4-chlorophenyl)sulfanyl-5-nitro-benzoate Openeye Name: [2-[2-cyanoethyl(methyl)amino]-2-oxo-ethyl] 2-(4-chlorophenyl)sulfanyl-5-nitro-benzoate CAS Name: 2-[(4-chlorophenyl)thio]-5-nitrobenzoic acid [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] 2-(4-chlorophenyl)sulfanyl-5-nitrobenzoate Traditional Name: 2-[(4-chlorophenyl)thio]-5-nitro-benzoic acid [2-[2-cyanoethyl(methyl)amino]-2-keto-ethyl] ester Formula: C19H16ClN3O5S MolecularWeight: 433.86544

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16ClN3O5S/c1-22(10-2-9-21)18(24)12-28-19(25)16-11-14(23(26)27)5-8-17(16)29-15-6-3-13(20)4-7-15/h3-8,11H,2,10,12H2,1H3