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

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 4-cyanobenzoate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid [(E)-4-amino-3-cyano-2-oxopent-3-enyl] ester IUPAC Name: [(E)-4-amino-3-cyano-2-oxopent-3-enyl] 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid [(E)-4-amino-3-cyano-2-keto-pent-3-enyl] ester Formula: C14H11N3O3 MolecularWeight: 269.25544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11N3O3/c1-9(17)12(7-16)13(18)8-20-14(19)11-4-2-10(6-15)3-5-11/h2-5H,8,17H2,1H3/b12-9+