1-cyanoethyl 4-(3,5-dimethylpyrazol-1-yl)benzoate

Systemtic Name: 1-cyanoethyl 4-(3,5-dimethylpyrazol-1-yl)benzoate Openeye Name: 1-cyanoethyl 4-(3,5-dimethylpyrazol-1-yl)benzoate CAS Name: 4-(3,5-dimethyl-1-pyrazolyl)benzoic acid 1-cyanoethyl ester IUPAC Name: 1-cyanoethyl 4-(3,5-dimethylpyrazol-1-yl)benzoate Traditional Name: 4-(3,5-dimethylpyrazol-1-yl)benzoic acid 1-cyanoethyl ester Formula: C15H15N3O2 MolecularWeight: 269.2985

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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