(4-cyanophenyl)methyl 5-chloranyl-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxylate

Systemtic Name: (4-cyanophenyl)methyl 5-chloranyl-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxylate Openeye Name: (4-cyanophenyl)methyl 5-chloro-1-isobutyl-3-methyl-pyrazole-4-carboxylate CAS Name: 5-chloro-3-methyl-1-(2-methylpropyl)-4-pyrazolecarboxylic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 5-chloro-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxylate Traditional Name: 5-chloro-1-isobutyl-3-methyl-pyrazole-4-carboxylic acid (4-cyanobenzyl) ester Formula: C17H18ClN3O2 MolecularWeight: 331.79672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)OCC2=CC=C(C=C2)C#N)Cl)CC(C)C

Isomeric SMILES

CC1=NN(C(=C1C(=O)OCC2=CC=C(C=C2)C#N)Cl)CC(C)C

InChI

InChI=1S/C17H18ClN3O2/c1-11(2)9-21-16(18)15(12(3)20-21)17(22)23-10-14-6-4-13(8-19)5-7-14/h4-7,11H,9-10H2,1-3H3