[(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 2,4-bis(oxidanyl)benzoate

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 2,4-bis(oxidanyl)benzoate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] 2,4-dihydroxybenzoate CAS Name: 2,4-dihydroxybenzoic acid [(E)-4-amino-3-cyano-2-oxopent-3-enyl] ester IUPAC Name: [(E)-4-amino-3-cyano-2-oxopent-3-enyl] 2,4-dihydroxybenzoate Traditional Name: 2,4-dihydroxybenzoic acid [(E)-4-amino-3-cyano-2-keto-pent-3-enyl] ester Formula: C13H12N2O5 MolecularWeight: 276.24478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12N2O5/c1-7(15)10(5-14)12(18)6-20-13(19)9-3-2-8(16)4-11(9)17/h2-4,16-17H,6,15H2,1H3/b10-7+