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

Systemtic Name: (4-cyanophenyl)methyl 4-chloranyl-1-ethyl-pyrazole-3-carboxylate Openeye Name: (4-cyanophenyl)methyl 4-chloro-1-ethyl-pyrazole-3-carboxylate CAS Name: 4-chloro-1-ethyl-3-pyrazolecarboxylic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 4-chloro-1-ethylpyrazole-3-carboxylate Traditional Name: 4-chloro-1-ethyl-pyrazole-3-carboxylic acid (4-cyanobenzyl) ester Formula: C14H12ClN3O2 MolecularWeight: 289.71698

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)OCC2=CC=C(C=C2)C#N)Cl

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)OCC2=CC=C(C=C2)C#N)Cl

InChI

InChI=1S/C14H12ClN3O2/c1-2-18-8-12(15)13(17-18)14(19)20-9-11-5-3-10(7-16)4-6-11/h3-6,8H,2,9H2,1H3