ethyl 1-[2-[(3-chloranyl-4-cyano-phenyl)amino]-2-oxidanylidene-ethyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-[(3-chloranyl-4-cyano-phenyl)amino]-2-oxidanylidene-ethyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-(3-chloro-4-cyano-anilino)-2-oxo-ethyl]piperidine-4-carboxylate CAS Name: 1-[2-(3-chloro-4-cyanoanilino)-2-oxoethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(3-chloro-4-cyanoanilino)-2-oxoethyl]piperidine-4-carboxylate Traditional Name: 1-[2-(3-chloro-4-cyano-anilino)-2-keto-ethyl]isonipecotic acid ethyl ester Formula: C17H20ClN3O3 MolecularWeight: 349.812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20ClN3O3/c1-2-24-17(23)12-5-7-21(8-6-12)11-16(22)20-14-4-3-13(10-19)15(18)9-14/h3-4,9,12H,2,5-8,11H2,1H3,(H,20,22)