ethyl 1-[(E)-3-[(3-chlorophenyl)amino]-2-cyano-3-oxidanylidene-prop-1-enyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[(E)-3-[(3-chlorophenyl)amino]-2-cyano-3-oxidanylidene-prop-1-enyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(E)-3-(3-chloroanilino)-2-cyano-3-oxo-prop-1-enyl]piperidine-4-carboxylate CAS Name: 1-[(E)-3-(3-chloroanilino)-2-cyano-3-oxoprop-1-enyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(E)-3-(3-chloroanilino)-2-cyano-3-oxoprop-1-enyl]piperidine-4-carboxylate Traditional Name: 1-[(E)-3-(3-chloroanilino)-2-cyano-3-keto-prop-1-enyl]isonipecotic acid ethyl ester Formula: C18H20ClN3O3 MolecularWeight: 361.8227

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20ClN3O3/c1-2-25-18(24)13-6-8-22(9-7-13)12-14(11-20)17(23)21-16-5-3-4-15(19)10-16/h3-5,10,12-13H,2,6-9H2,1H3,(H,21,23)/b14-12+