prop-2-enyl (E)-2-cyano-3-[1-(phenylmethyl)pyrazol-4-yl]prop-2-enoate

Systemtic Name: prop-2-enyl (E)-2-cyano-3-[1-(phenylmethyl)pyrazol-4-yl]prop-2-enoate Openeye Name: allyl (E)-3-(1-benzylpyrazol-4-yl)-2-cyano-prop-2-enoate CAS Name: (E)-2-cyano-3-[1-(phenylmethyl)-4-pyrazolyl]-2-propenoic acid prop-2-enyl ester IUPAC Name: prop-2-enyl (E)-3-(1-benzylpyrazol-4-yl)-2-cyanoprop-2-enoate Traditional Name: (E)-3-(1-benzylpyrazol-4-yl)-2-cyano-acrylic acid allyl ester Formula: C17H15N3O2 MolecularWeight: 293.3199

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC(=O)C(=CC1=CN(N=C1)CC2=CC=CC=C2)C#N

Isomeric SMILES

C=CCOC(=O)/C(=C/C1=CN(N=C1)CC2=CC=CC=C2)/C#N

InChI

InChI=1S/C17H15N3O2/c1-2-8-22-17(21)16(10-18)9-15-11-19-20(13-15)12-14-6-4-3-5-7-14/h2-7,9,11,13H,1,8,12H2/b16-9+