ethyl 5-[(4-chlorophenyl)methyl]-1H-pyrazole-3-carboxylate

Systemtic Name: ethyl 5-[(4-chlorophenyl)methyl]-1H-pyrazole-3-carboxylate Openeye Name: ethyl 5-[(4-chlorophenyl)methyl]-1H-pyrazole-3-carboxylate CAS Name: 5-[(4-chlorophenyl)methyl]-1H-pyrazole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[(4-chlorophenyl)methyl]-1H-pyrazole-3-carboxylate Traditional Name: 5-(4-chlorobenzyl)-1H-pyrazole-3-carboxylic acid ethyl ester Formula: C13H13ClN2O2 MolecularWeight: 264.70752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NNC(=C1)CC2=CC=C(C=C2)Cl

Isomeric SMILES

CCOC(=O)C1=NNC(=C1)CC2=CC=C(C=C2)Cl

InChI

InChI=1S/C13H13ClN2O2/c1-2-18-13(17)12-8-11(15-16-12)7-9-3-5-10(14)6-4-9/h3-6,8H,2,7H2,1H3,(H,15,16)