2-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]-oxidanyl-methyl]prop-2-enoic acid

Systemtic Name: 2-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]-oxidanyl-methyl]prop-2-enoic acid Openeye Name: 2-[hydroxy-[5-(p-tolyl)isoxazol-3-yl]methyl]prop-2-enoic acid CAS Name: 2-[hydroxy-[5-(4-methylphenyl)-3-isoxazolyl]methyl]-2-propenoic acid IUPAC Name: 2-[hydroxy-[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]prop-2-enoic acid Traditional Name: 2-[hydroxy-[5-(p-tolyl)isoxazol-3-yl]methyl]acrylic acid Formula: C14H13NO4 MolecularWeight: 259.25732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(=NO2)C(C(=C)C(=O)O)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC(=NO2)C(C(=C)C(=O)O)O

InChI

InChI=1S/C14H13NO4/c1-8-3-5-10(6-4-8)12-7-11(15-19-12)13(16)9(2)14(17)18/h3-7,13,16H,2H2,1H3,(H,17,18)