[2-[(2-chloranyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-[(4-cyanophenyl)methylsulfanyl]benzoate

Systemtic Name: [2-[(2-chloranyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-[(4-cyanophenyl)methylsulfanyl]benzoate Openeye Name: [2-(2-chloro-4-nitro-anilino)-2-oxo-ethyl] 2-[(4-cyanophenyl)methylsulfanyl]benzoate CAS Name: 2-[(4-cyanophenyl)methylthio]benzoic acid [2-(2-chloro-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-chloro-4-nitroanilino)-2-oxoethyl] 2-[(4-cyanophenyl)methylsulfanyl]benzoate Traditional Name: 2-[(4-cyanobenzyl)thio]benzoic acid [2-(2-chloro-4-nitro-anilino)-2-keto-ethyl] ester Formula: C23H16ClN3O5S MolecularWeight: 481.90824

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)OCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl)SCC3=CC=C(C=C3)C#N

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)OCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl)SCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C23H16ClN3O5S/c24-19-11-17(27(30)31)9-10-20(19)26-22(28)13-32-23(29)18-3-1-2-4-21(18)33-14-16-7-5-15(12-25)6-8-16/h1-11H,13-14H2,(H,26,28)