methyl 1-methyl-4-(2-phenylethynyl)pyrazole-3-carboxylate

Systemtic Name: methyl 1-methyl-4-(2-phenylethynyl)pyrazole-3-carboxylate Openeye Name: methyl 1-methyl-4-(2-phenylethynyl)pyrazole-3-carboxylate CAS Name: 1-methyl-4-(2-phenylethynyl)-3-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 1-methyl-4-(2-phenylethynyl)pyrazole-3-carboxylate Traditional Name: 1-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(=O)OC)C#CC2=CC=CC=C2

Isomeric SMILES

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

InChI

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