methyl 3-[2-(4-methoxyphenyl)ethynyl]-1,5-dimethyl-pyrazole-4-carboxylate

Systemtic Name: methyl 3-[2-(4-methoxyphenyl)ethynyl]-1,5-dimethyl-pyrazole-4-carboxylate Openeye Name: methyl 3-[2-(4-methoxyphenyl)ethynyl]-1,5-dimethyl-pyrazole-4-carboxylate CAS Name: 3-[2-(4-methoxyphenyl)ethynyl]-1,5-dimethyl-4-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 3-[2-(4-methoxyphenyl)ethynyl]-1,5-dimethylpyrazole-4-carboxylate Traditional Name: 3-[2-(4-methoxyphenyl)ethynyl]-1,5-dimethyl-pyrazole-4-carboxylic acid methyl ester Formula: C16H16N2O3 MolecularWeight: 284.30984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C#CC2=CC=C(C=C2)OC)C(=O)OC

Isomeric SMILES

CC1=C(C(=NN1C)C#CC2=CC=C(C=C2)OC)C(=O)OC

InChI

InChI=1S/C16H16N2O3/c1-11-15(16(19)21-4)14(17-18(11)2)10-7-12-5-8-13(20-3)9-6-12/h5-6,8-9H,1-4H3