3-cyanopropyl 1-phenylpyrazole-4-carboxylate

Systemtic Name: 3-cyanopropyl 1-phenylpyrazole-4-carboxylate Openeye Name: 3-cyanopropyl 1-phenylpyrazole-4-carboxylate CAS Name: 1-phenyl-4-pyrazolecarboxylic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 1-phenylpyrazole-4-carboxylate Traditional Name: 1-phenylpyrazole-4-carboxylic acid 3-cyanopropyl ester Formula: C14H13N3O2 MolecularWeight: 255.27192

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C=N2)C(=O)OCCCC#N

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C=N2)C(=O)OCCCC#N

InChI

InChI=1S/C14H13N3O2/c15-8-4-5-9-19-14(18)12-10-16-17(11-12)13-6-2-1-3-7-13/h1-3,6-7,10-11H,4-5,9H2