[(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 1-(4-chlorophenyl)carbonylpiperidine-4-carboxylate

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 1-(4-chlorophenyl)carbonylpiperidine-4-carboxylate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] 1-(4-chlorobenzoyl)piperidine-4-carboxylate CAS Name: 1-[(4-chlorophenyl)-oxomethyl]-4-piperidinecarboxylic acid [(E)-4-amino-3-cyano-2-oxopent-3-enyl] ester IUPAC Name: [(E)-4-amino-3-cyano-2-oxopent-3-enyl] 1-(4-chlorobenzoyl)piperidine-4-carboxylate Traditional Name: 1-(4-chlorobenzoyl)isonipecotic acid [(E)-4-amino-3-cyano-2-keto-pent-3-enyl] ester Formula: C19H20ClN3O4 MolecularWeight: 389.8328

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20ClN3O4/c1-12(22)16(10-21)17(24)11-27-19(26)14-6-8-23(9-7-14)18(25)13-2-4-15(20)5-3-13/h2-5,14H,6-9,11,22H2,1H3/b16-12+