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

Systemtic Name: 2-(imidazol-1-ylmethyl)-5-[(E)-3-oxidanyl-3-oxidanylidene-prop-1-enyl]benzoic acid Openeye Name: 5-[(E)-3-hydroxy-3-oxo-prop-1-enyl]-2-(imidazol-1-ylmethyl)benzoic acid CAS Name: 5-[(E)-3-hydroxy-3-oxoprop-1-enyl]-2-(1-imidazolylmethyl)benzoic acid IUPAC Name: 5-[(E)-3-hydroxy-3-oxoprop-1-enyl]-2-(imidazol-1-ylmethyl)benzoic acid Traditional Name: 5-[(E)-3-hydroxy-3-keto-prop-1-enyl]-2-(imidazol-1-ylmethyl)benzoic acid Formula: C14H12N2O4 MolecularWeight: 272.25608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C=CC(=O)O)C(=O)O)CN2C=CN=C2

Isomeric SMILES

C1=CC(=C(C=C1/C=C/C(=O)O)C(=O)O)CN2C=CN=C2

InChI

InChI=1S/C14H12N2O4/c17-13(18)4-2-10-1-3-11(12(7-10)14(19)20)8-16-6-5-15-9-16/h1-7,9H,8H2,(H,17,18)(H,19,20)/b4-2+