[(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 3-acetamidobenzoate

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 3-acetamidobenzoate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] 3-acetamidobenzoate CAS Name: 3-acetamidobenzoic acid [(E)-4-amino-3-cyano-2-oxopent-3-enyl] ester IUPAC Name: [(E)-4-amino-3-cyano-2-oxopent-3-enyl] 3-acetamidobenzoate Traditional Name: 3-acetamidobenzoic acid [(E)-4-amino-3-cyano-2-keto-pent-3-enyl] ester Formula: C15H15N3O4 MolecularWeight: 301.2973

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15N3O4/c1-9(17)13(7-16)14(20)8-22-15(21)11-4-3-5-12(6-11)18-10(2)19/h3-6H,8,17H2,1-2H3,(H,18,19)/b13-9+