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

Systemtic Name: cyanomethyl 5-chloranyl-3-methyl-1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: cyanomethyl 1-benzyl-5-chloro-3-methyl-pyrazole-4-carboxylate CAS Name: 5-chloro-3-methyl-1-(phenylmethyl)-4-pyrazolecarboxylic acid cyanomethyl ester IUPAC Name: cyanomethyl 1-benzyl-5-chloro-3-methylpyrazole-4-carboxylate Traditional Name: 1-benzyl-5-chloro-3-methyl-pyrazole-4-carboxylic acid cyanomethyl ester Formula: C14H12ClN3O2 MolecularWeight: 289.71698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12ClN3O2/c1-10-12(14(19)20-8-7-16)13(15)18(17-10)9-11-5-3-2-4-6-11/h2-6H,8-9H2,1H3