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

Systemtic Name: methyl (E)-2-cyano-3-[1-(phenylmethyl)pyrazol-4-yl]prop-2-enoate Openeye Name: methyl (E)-3-(1-benzylpyrazol-4-yl)-2-cyano-prop-2-enoate CAS Name: (E)-2-cyano-3-[1-(phenylmethyl)-4-pyrazolyl]-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-(1-benzylpyrazol-4-yl)-2-cyanoprop-2-enoate Traditional Name: (E)-3-(1-benzylpyrazol-4-yl)-2-cyano-acrylic acid methyl ester Formula: C15H13N3O2 MolecularWeight: 267.28262

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13N3O2/c1-20-15(19)14(8-16)7-13-9-17-18(11-13)10-12-5-3-2-4-6-12/h2-7,9,11H,10H2,1H3/b14-7+