methyl (E)-2-cyano-3-(1-phenylpyrazol-4-yl)prop-2-enoate

Systemtic Name: methyl (E)-2-cyano-3-(1-phenylpyrazol-4-yl)prop-2-enoate Openeye Name: methyl (E)-2-cyano-3-(1-phenylpyrazol-4-yl)prop-2-enoate CAS Name: (E)-2-cyano-3-(1-phenyl-4-pyrazolyl)-2-propenoic acid methyl ester IUPAC Name: methyl (E)-2-cyano-3-(1-phenylpyrazol-4-yl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(1-phenylpyrazol-4-yl)acrylic acid methyl ester Formula: C14H11N3O2 MolecularWeight: 253.25604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11N3O2/c1-19-14(18)12(8-15)7-11-9-16-17(10-11)13-5-3-2-4-6-13/h2-7,9-10H,1H3/b12-7+