[(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 2-[(3,5-dimethylphenyl)carbonylamino]ethanoate

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 2-[(3,5-dimethylphenyl)carbonylamino]ethanoate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] 2-[(3,5-dimethylbenzoyl)amino]acetate CAS Name: 2-[[(3,5-dimethylphenyl)-oxomethyl]amino]acetic acid [(E)-4-amino-3-cyano-2-oxopent-3-enyl] ester IUPAC Name: [(E)-4-amino-3-cyano-2-oxopent-3-enyl] 2-[(3,5-dimethylbenzoyl)amino]acetate Traditional Name: 2-[(3,5-dimethylbenzoyl)amino]acetic acid [(E)-4-amino-3-cyano-2-keto-pent-3-enyl] ester Formula: C17H19N3O4 MolecularWeight: 329.35046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)NCC(=O)OCC(=O)C(=C(C)N)C#N)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)NCC(=O)OCC(=O)/C(=C(\C)/N)/C#N)C

InChI

InChI=1S/C17H19N3O4/c1-10-4-11(2)6-13(5-10)17(23)20-8-16(22)24-9-15(21)14(7-18)12(3)19/h4-6H,8-9,19H2,1-3H3,(H,20,23)/b14-12+