[(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 3-acetamido-3-phenyl-propanoate

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 3-acetamido-3-phenyl-propanoate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] 3-acetamido-3-phenyl-propanoate CAS Name: 3-acetamido-3-phenylpropanoic acid [(E)-4-amino-3-cyano-2-oxopent-3-enyl] ester IUPAC Name: [(E)-4-amino-3-cyano-2-oxopent-3-enyl] 3-acetamido-3-phenylpropanoate Traditional Name: 3-acetamido-3-phenyl-propionic acid [(E)-4-amino-3-cyano-2-keto-pent-3-enyl] ester Formula: C17H19N3O4 MolecularWeight: 329.35046

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)COC(=O)CC(C1=CC=CC=C1)NC(=O)C)N

Isomeric SMILES

C/C(=C(/C#N)\C(=O)COC(=O)CC(C1=CC=CC=C1)NC(=O)C)/N

InChI

InChI=1S/C17H19N3O4/c1-11(19)14(9-18)16(22)10-24-17(23)8-15(20-12(2)21)13-6-4-3-5-7-13/h3-7,15H,8,10,19H2,1-2H3,(H,20,21)/b14-11+