1-cyanoethyl 3,5-dimethyl-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: 1-cyanoethyl 3,5-dimethyl-1-phenyl-pyrazole-4-carboxylate Openeye Name: 1-cyanoethyl 3,5-dimethyl-1-phenyl-pyrazole-4-carboxylate CAS Name: 3,5-dimethyl-1-phenyl-4-pyrazolecarboxylic acid 1-cyanoethyl ester IUPAC Name: 1-cyanoethyl 3,5-dimethyl-1-phenylpyrazole-4-carboxylate Traditional Name: 3,5-dimethyl-1-phenyl-pyrazole-4-carboxylic acid 1-cyanoethyl ester Formula: C15H15N3O2 MolecularWeight: 269.2985

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)OC(C)C#N

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)OC(C)C#N

InChI

InChI=1S/C15H15N3O2/c1-10(9-16)20-15(19)14-11(2)17-18(12(14)3)13-7-5-4-6-8-13/h4-8,10H,1-3H3