methyl 5-ethyl-5-oxidanyl-1-(phenylcarbonyl)-4H-pyrazole-3-carboxylate

Systemtic Name: methyl 5-ethyl-5-oxidanyl-1-(phenylcarbonyl)-4H-pyrazole-3-carboxylate Openeye Name: methyl 1-benzoyl-5-ethyl-5-hydroxy-4H-pyrazole-3-carboxylate CAS Name: 1-benzoyl-5-ethyl-5-hydroxy-4H-pyrazole-3-carboxylic acid methyl ester IUPAC Name: methyl 1-benzoyl-5-ethyl-5-hydroxy-4H-pyrazole-3-carboxylate Traditional Name: 1-benzoyl-5-ethyl-5-hydroxy-2-pyrazoline-3-carboxylic acid methyl ester Formula: C14H16N2O4 MolecularWeight: 276.28784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1(CC(=NN1C(=O)C2=CC=CC=C2)C(=O)OC)O

Isomeric SMILES

CCC1(CC(=NN1C(=O)C2=CC=CC=C2)C(=O)OC)O

InChI

InChI=1S/C14H16N2O4/c1-3-14(19)9-11(13(18)20-2)15-16(14)12(17)10-7-5-4-6-8-10/h4-8,19H,3,9H2,1-2H3