(phenylmethyl) 5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazole-4-carboxylate

Systemtic Name: (phenylmethyl) 5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazole-4-carboxylate Openeye Name: benzyl 5-methyl-3-oxo-2-phenyl-1H-pyrazole-4-carboxylate CAS Name: 5-methyl-3-oxo-2-phenyl-1H-pyrazole-4-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 5-methyl-3-oxo-2-phenyl-1H-pyrazole-4-carboxylate Traditional Name: 5-keto-3-methyl-1-phenyl-3-pyrazoline-4-carboxylic acid benzyl ester Formula: C18H16N2O3 MolecularWeight: 308.33124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C18H16N2O3/c1-13-16(18(22)23-12-14-8-4-2-5-9-14)17(21)20(19-13)15-10-6-3-7-11-15/h2-11,19H,12H2,1H3