ethyl 1-(3-cyanophenyl)-5-methyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 1-(3-cyanophenyl)-5-methyl-pyrazole-4-carboxylate Openeye Name: ethyl 1-(3-cyanophenyl)-5-methyl-pyrazole-4-carboxylate CAS Name: 1-(3-cyanophenyl)-5-methyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(3-cyanophenyl)-5-methylpyrazole-4-carboxylate Traditional Name: 1-(3-cyanophenyl)-5-methyl-pyrazole-4-carboxylic acid ethyl ester Formula: C14H13N3O2 MolecularWeight: 255.27192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=CC(=C2)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=CC(=C2)C#N)C

InChI

InChI=1S/C14H13N3O2/c1-3-19-14(18)13-9-16-17(10(13)2)12-6-4-5-11(7-12)8-15/h4-7,9H,3H2,1-2H3