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

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 3-oxidanylbenzoate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] 3-hydroxybenzoate CAS Name: 3-hydroxybenzoic acid [(E)-4-amino-3-cyano-2-oxopent-3-enyl] ester IUPAC Name: [(E)-4-amino-3-cyano-2-oxopent-3-enyl] 3-hydroxybenzoate Traditional Name: 3-hydroxybenzoic acid [(E)-4-amino-3-cyano-2-keto-pent-3-enyl] ester Formula: C13H12N2O4 MolecularWeight: 260.24538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12N2O4/c1-8(15)11(6-14)12(17)7-19-13(18)9-3-2-4-10(16)5-9/h2-5,16H,7,15H2,1H3/b11-8+