[(1R)-1-cyanoethyl] 5-chloranyl-3-methyl-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: [(1R)-1-cyanoethyl] 5-chloranyl-3-methyl-1-phenyl-pyrazole-4-carboxylate Openeye Name: [(1R)-1-cyanoethyl] 5-chloro-3-methyl-1-phenyl-pyrazole-4-carboxylate CAS Name: 5-chloro-3-methyl-1-phenyl-4-pyrazolecarboxylic acid [(1R)-1-cyanoethyl] ester IUPAC Name: [(1R)-1-cyanoethyl] 5-chloro-3-methyl-1-phenylpyrazole-4-carboxylate Traditional Name: 5-chloro-3-methyl-1-phenyl-pyrazole-4-carboxylic acid [(1R)-1-cyanoethyl] ester Formula: C14H12ClN3O2 MolecularWeight: 289.71698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=NN(C(=C1C(=O)O[C@H](C)C#N)Cl)C2=CC=CC=C2

InChI

InChI=1S/C14H12ClN3O2/c1-9(8-16)20-14(19)12-10(2)17-18(13(12)15)11-6-4-3-5-7-11/h3-7,9H,1-2H3/t9-/m1/s1