2-[3-(4-methylphenyl)carbonyl-1,2-oxazol-5-yl]ethanoic acid

Systemtic Name: 2-[3-(4-methylphenyl)carbonyl-1,2-oxazol-5-yl]ethanoic acid Openeye Name: 2-[3-(4-methylbenzoyl)isoxazol-5-yl]acetic acid CAS Name: 2-[3-[(4-methylphenyl)-oxomethyl]-5-isoxazolyl]acetic acid IUPAC Name: 2-[3-(4-methylbenzoyl)-1,2-oxazol-5-yl]acetic acid Traditional Name: 2-(3-p-toluoylisoxazol-5-yl)acetic acid Formula: C13H11NO4 MolecularWeight: 245.23074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11NO4/c1-8-2-4-9(5-3-8)13(17)11-6-10(18-14-11)7-12(15)16/h2-6H,7H2,1H3,(H,15,16)