methyl 4-ethynyl-2-methyl-pyrazole-3-carboxylate

Systemtic Name: methyl 4-ethynyl-2-methyl-pyrazole-3-carboxylate Openeye Name: methyl 4-ethynyl-2-methyl-pyrazole-3-carboxylate CAS Name: 4-ethynyl-2-methyl-3-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 4-ethynyl-2-methylpyrazole-3-carboxylate Traditional Name: 4-ethynyl-2-methyl-pyrazole-3-carboxylic acid methyl ester Formula: C8H8N2O2 MolecularWeight: 164.16132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C=N1)C#C)C(=O)OC

Isomeric SMILES

CN1C(=C(C=N1)C#C)C(=O)OC

InChI

InChI=1S/C8H8N2O2/c1-4-6-5-9-10(2)7(6)8(11)12-3/h1,5H,2-3H3