3-[4-[2-(acetamidomethyl)-5-oxidanylidene-1,2-oxazol-4-yl]phenyl]benzoic acid

Systemtic Name: 3-[4-[2-(acetamidomethyl)-5-oxidanylidene-1,2-oxazol-4-yl]phenyl]benzoic acid Openeye Name: 3-[4-[2-(acetamidomethyl)-5-oxo-isoxazol-4-yl]phenyl]benzoic acid CAS Name: 3-[4-[2-(acetamidomethyl)-5-oxo-4-isoxazolyl]phenyl]benzoic acid IUPAC Name: 3-[4-[2-(acetamidomethyl)-5-oxo-1,2-oxazol-4-yl]phenyl]benzoic acid Traditional Name: 3-[4-[2-(acetamidomethyl)-5-keto-3-isoxazolin-4-yl]phenyl]benzoic acid Formula: C19H16N2O5 MolecularWeight: 352.34074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCN1C=C(C(=O)O1)C2=CC=C(C=C2)C3=CC(=CC=C3)C(=O)O

Isomeric SMILES

CC(=O)NCN1C=C(C(=O)O1)C2=CC=C(C=C2)C3=CC(=CC=C3)C(=O)O

InChI

InChI=1S/C19H16N2O5/c1-12(22)20-11-21-10-17(19(25)26-21)14-7-5-13(6-8-14)15-3-2-4-16(9-15)18(23)24/h2-10H,11H2,1H3,(H,20,22)(H,23,24)