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

Systemtic Name: ethyl (E)-2-cyano-3-[1-(phenylmethyl)pyrazol-4-yl]prop-2-enoate Openeye Name: ethyl (E)-3-(1-benzylpyrazol-4-yl)-2-cyano-prop-2-enoate CAS Name: (E)-2-cyano-3-[1-(phenylmethyl)-4-pyrazolyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-(1-benzylpyrazol-4-yl)-2-cyanoprop-2-enoate Traditional Name: (E)-3-(1-benzylpyrazol-4-yl)-2-cyano-acrylic acid ethyl ester Formula: C16H15N3O2 MolecularWeight: 281.3092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N3O2/c1-2-21-16(20)15(9-17)8-14-10-18-19(12-14)11-13-6-4-3-5-7-13/h3-8,10,12H,2,11H2,1H3/b15-8+