methyl 2-methyl-4-(2-phenylethynyl)pyrazole-3-carboxylate

Systemtic Name: methyl 2-methyl-4-(2-phenylethynyl)pyrazole-3-carboxylate Openeye Name: methyl 2-methyl-4-(2-phenylethynyl)pyrazole-3-carboxylate CAS Name: 2-methyl-4-(2-phenylethynyl)-3-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 2-methyl-4-(2-phenylethynyl)pyrazole-3-carboxylate Traditional Name: 2-methyl-4-(2-phenylethynyl)pyrazole-3-carboxylic acid methyl ester Formula: C14H12N2O2 MolecularWeight: 240.25728

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C=N1)C#CC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CN1C(=C(C=N1)C#CC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C14H12N2O2/c1-16-13(14(17)18-2)12(10-15-16)9-8-11-6-4-3-5-7-11/h3-7,10H,1-2H3