methyl 4-(5-methyl-2-oxidanyl-phenyl)carbonylpyrazole-1-carboxylate

Systemtic Name: methyl 4-(5-methyl-2-oxidanyl-phenyl)carbonylpyrazole-1-carboxylate Openeye Name: methyl 4-(2-hydroxy-5-methyl-benzoyl)pyrazole-1-carboxylate CAS Name: 4-[(2-hydroxy-5-methylphenyl)-oxomethyl]-1-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 4-(2-hydroxy-5-methylbenzoyl)pyrazole-1-carboxylate Traditional Name: 4-(2-hydroxy-5-methyl-benzoyl)pyrazole-1-carboxylic acid methyl ester Formula: C13H12N2O4 MolecularWeight: 260.24538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)O)C(=O)C2=CN(N=C2)C(=O)OC

Isomeric SMILES

CC1=CC(=C(C=C1)O)C(=O)C2=CN(N=C2)C(=O)OC

InChI

InChI=1S/C13H12N2O4/c1-8-3-4-11(16)10(5-8)12(17)9-6-14-15(7-9)13(18)19-2/h3-7,16H,1-2H3