(4-cyanophenyl)methyl 1-butyl-5-chloranyl-3-methyl-pyrazole-4-carboxylate

Systemtic Name: (4-cyanophenyl)methyl 1-butyl-5-chloranyl-3-methyl-pyrazole-4-carboxylate Openeye Name: (4-cyanophenyl)methyl 1-butyl-5-chloro-3-methyl-pyrazole-4-carboxylate CAS Name: 1-butyl-5-chloro-3-methyl-4-pyrazolecarboxylic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 1-butyl-5-chloro-3-methylpyrazole-4-carboxylate Traditional Name: 1-butyl-5-chloro-3-methyl-pyrazole-4-carboxylic acid (4-cyanobenzyl) ester Formula: C17H18ClN3O2 MolecularWeight: 331.79672

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=N1)C)C(=O)OCC2=CC=C(C=C2)C#N)Cl

Isomeric SMILES

CCCCN1C(=C(C(=N1)C)C(=O)OCC2=CC=C(C=C2)C#N)Cl

InChI

InChI=1S/C17H18ClN3O2/c1-3-4-9-21-16(18)15(12(2)20-21)17(22)23-11-14-7-5-13(10-19)6-8-14/h5-8H,3-4,9,11H2,1-2H3