5-[(E)-2-cyano-3-oxidanyl-3-oxidanylidene-prop-1-enyl]-2-ethoxy-benzoic acid

Systemtic Name: 5-[(E)-2-cyano-3-oxidanyl-3-oxidanylidene-prop-1-enyl]-2-ethoxy-benzoic acid Openeye Name: 5-[(E)-2-cyano-3-hydroxy-3-oxo-prop-1-enyl]-2-ethoxy-benzoic acid CAS Name: 5-[(E)-2-cyano-3-hydroxy-3-oxoprop-1-enyl]-2-ethoxybenzoic acid IUPAC Name: 5-[(E)-2-cyano-3-hydroxy-3-oxoprop-1-enyl]-2-ethoxybenzoic acid Traditional Name: 5-[(E)-2-cyano-3-hydroxy-3-keto-prop-1-enyl]-2-ethoxy-benzoic acid Formula: C13H11NO5 MolecularWeight: 261.23014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C=C(C#N)C(=O)O)C(=O)O

Isomeric SMILES

CCOC1=C(C=C(C=C1)/C=C(\C#N)/C(=O)O)C(=O)O

InChI

InChI=1S/C13H11NO5/c1-2-19-11-4-3-8(6-10(11)13(17)18)5-9(7-14)12(15)16/h3-6H,2H2,1H3,(H,15,16)(H,17,18)/b9-5+