methyl 1-[2-[(5-chloranyl-2-cyano-phenyl)amino]-2-oxidanylidene-ethyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-[(5-chloranyl-2-cyano-phenyl)amino]-2-oxidanylidene-ethyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-(5-chloro-2-cyano-anilino)-2-oxo-ethyl]piperidine-4-carboxylate CAS Name: 1-[2-(5-chloro-2-cyanoanilino)-2-oxoethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(5-chloro-2-cyanoanilino)-2-oxoethyl]piperidine-4-carboxylate Traditional Name: 1-[2-(5-chloro-2-cyano-anilino)-2-keto-ethyl]isonipecotic acid methyl ester Formula: C16H18ClN3O3 MolecularWeight: 335.78542

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)CC(=O)NC2=C(C=CC(=C2)Cl)C#N

Isomeric SMILES

COC(=O)C1CCN(CC1)CC(=O)NC2=C(C=CC(=C2)Cl)C#N

InChI

InChI=1S/C16H18ClN3O3/c1-23-16(22)11-4-6-20(7-5-11)10-15(21)19-14-8-13(17)3-2-12(14)9-18/h2-3,8,11H,4-7,10H2,1H3,(H,19,21)