1,2-oxazol-5-ylmethyl 4-methyl-2-oxidanyl-benzoate

Systemtic Name: 1,2-oxazol-5-ylmethyl 4-methyl-2-oxidanyl-benzoate Openeye Name: isoxazol-5-ylmethyl 2-hydroxy-4-methyl-benzoate CAS Name: 2-hydroxy-4-methylbenzoic acid 5-isoxazolylmethyl ester IUPAC Name: 1,2-oxazol-5-ylmethyl 2-hydroxy-4-methylbenzoate Traditional Name: 2-hydroxy-4-methyl-benzoic acid isoxazol-5-ylmethyl ester Formula: C12H11NO4 MolecularWeight: 233.22004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)OCC2=CC=NO2)O

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)OCC2=CC=NO2)O

InChI

InChI=1S/C12H11NO4/c1-8-2-3-10(11(14)6-8)12(15)16-7-9-4-5-13-17-9/h2-6,14H,7H2,1H3