O3-ethyl O4-(phenylmethyl) 5-methyl-1-phenyl-pyrazole-3,4-dicarboxylate

Systemtic Name: O3-ethyl O4-(phenylmethyl) 5-methyl-1-phenyl-pyrazole-3,4-dicarboxylate Openeye Name: O4-benzyl O3-ethyl 5-methyl-1-phenyl-pyrazole-3,4-dicarboxylate CAS Name: 5-methyl-1-phenylpyrazole-3,4-dicarboxylic acid O3-ethyl ester O4-(phenylmethyl) ester IUPAC Name: 4-O-benzyl 3-O-ethyl 5-methyl-1-phenylpyrazole-3,4-dicarboxylate Traditional Name: 5-methyl-1-phenyl-pyrazole-3,4-dicarboxylic acid O4-benzyl ester O3-ethyl ester Formula: C21H20N2O4 MolecularWeight: 364.3945

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=C1C(=O)OCC2=CC=CC=C2)C)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=NN(C(=C1C(=O)OCC2=CC=CC=C2)C)C3=CC=CC=C3

InChI

InChI=1S/C21H20N2O4/c1-3-26-21(25)19-18(20(24)27-14-16-10-6-4-7-11-16)15(2)23(22-19)17-12-8-5-9-13-17/h4-13H,3,14H2,1-2H3