1-[(E)-2-cyano-3-oxidanylidene-3-phenylazanyl-prop-1-enyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(E)-2-cyano-3-oxidanylidene-3-phenylazanyl-prop-1-enyl]piperidine-4-carboxylic acid Openeye Name: 1-[(E)-3-anilino-2-cyano-3-oxo-prop-1-enyl]piperidine-4-carboxylic acid CAS Name: 1-[(E)-3-anilino-2-cyano-3-oxoprop-1-enyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(E)-3-anilino-2-cyano-3-oxoprop-1-enyl]piperidine-4-carboxylic acid Traditional Name: 1-[(E)-3-anilino-2-cyano-3-keto-prop-1-enyl]isonipecotic acid Formula: C16H17N3O3 MolecularWeight: 299.32448

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C=C(C#N)C(=O)NC2=CC=CC=C2

Isomeric SMILES

C1CN(CCC1C(=O)O)/C=C(\C#N)/C(=O)NC2=CC=CC=C2

InChI

InChI=1S/C16H17N3O3/c17-10-13(15(20)18-14-4-2-1-3-5-14)11-19-8-6-12(7-9-19)16(21)22/h1-5,11-12H,6-9H2,(H,18,20)(H,21,22)/b13-11+