3-cyanopropyl 5-chloranyl-3-methyl-1-(phenylmethyl)pyrazole-4-carboxylate

Systemtic Name: 3-cyanopropyl 5-chloranyl-3-methyl-1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: 3-cyanopropyl 1-benzyl-5-chloro-3-methyl-pyrazole-4-carboxylate CAS Name: 5-chloro-3-methyl-1-(phenylmethyl)-4-pyrazolecarboxylic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 1-benzyl-5-chloro-3-methylpyrazole-4-carboxylate Traditional Name: 1-benzyl-5-chloro-3-methyl-pyrazole-4-carboxylic acid 3-cyanopropyl ester Formula: C16H16ClN3O2 MolecularWeight: 317.77014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)OCCCC#N)Cl)CC2=CC=CC=C2

Isomeric SMILES

CC1=NN(C(=C1C(=O)OCCCC#N)Cl)CC2=CC=CC=C2

InChI

InChI=1S/C16H16ClN3O2/c1-12-14(16(21)22-10-6-5-9-18)15(17)20(19-12)11-13-7-3-2-4-8-13/h2-4,7-8H,5-6,10-11H2,1H3