butyl (E)-3-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-2-cyano-prop-2-enoate

Systemtic Name: butyl (E)-3-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-2-cyano-prop-2-enoate Openeye Name: butyl (E)-3-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-2-cyano-prop-2-enoate CAS Name: (E)-3-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-2-cyano-2-propenoic acid butyl ester IUPAC Name: butyl (E)-3-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-2-cyanoprop-2-enoate Traditional Name: (E)-3-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-2-cyano-acrylic acid butyl ester Formula: C17H16ClN3O2 MolecularWeight: 329.78084

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C(=CC1=C(NN=C1)C2=CC=C(C=C2)Cl)C#N

Isomeric SMILES

CCCCOC(=O)/C(=C/C1=C(NN=C1)C2=CC=C(C=C2)Cl)/C#N

InChI

InChI=1S/C17H16ClN3O2/c1-2-3-8-23-17(22)13(10-19)9-14-11-20-21-16(14)12-4-6-15(18)7-5-12/h4-7,9,11H,2-3,8H2,1H3,(H,20,21)/b13-9+