[2-[(5-chloranyl-2-cyano-phenyl)amino]-2-oxidanylidene-ethyl] 4-methylsulfanyl-3-nitro-benzoate

Systemtic Name: [2-[(5-chloranyl-2-cyano-phenyl)amino]-2-oxidanylidene-ethyl] 4-methylsulfanyl-3-nitro-benzoate Openeye Name: [2-(5-chloro-2-cyano-anilino)-2-oxo-ethyl] 4-methylsulfanyl-3-nitro-benzoate CAS Name: 4-(methylthio)-3-nitrobenzoic acid [2-(5-chloro-2-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(5-chloro-2-cyanoanilino)-2-oxoethyl] 4-methylsulfanyl-3-nitrobenzoate Traditional Name: 4-(methylthio)-3-nitro-benzoic acid [2-(5-chloro-2-cyano-anilino)-2-keto-ethyl] ester Formula: C17H12ClN3O5S MolecularWeight: 405.81228

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=C(C=CC(=C2)Cl)C#N)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=C(C=CC(=C2)Cl)C#N)[N+](=O)[O-]

InChI

InChI=1S/C17H12ClN3O5S/c1-27-15-5-3-10(6-14(15)21(24)25)17(23)26-9-16(22)20-13-7-12(18)4-2-11(13)8-19/h2-7H,9H2,1H3,(H,20,22)