dimethyl 1-phenylpyrazole-3,5-dicarboxylate

Systemtic Name: dimethyl 1-phenylpyrazole-3,5-dicarboxylate Openeye Name: dimethyl 1-phenylpyrazole-3,5-dicarboxylate CAS Name: 1-phenylpyrazole-3,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 1-phenylpyrazole-3,5-dicarboxylate Traditional Name: 1-phenylpyrazole-3,5-dicarboxylic acid dimethyl ester Formula: C13H12N2O4 MolecularWeight: 260.24538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=NN1C2=CC=CC=C2)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=NN1C2=CC=CC=C2)C(=O)OC

InChI

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