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

Systemtic Name: prop-2-enyl (E)-2-cyano-3-(1-phenylpyrazol-4-yl)prop-2-enoate Openeye Name: allyl (E)-2-cyano-3-(1-phenylpyrazol-4-yl)prop-2-enoate CAS Name: (E)-2-cyano-3-(1-phenyl-4-pyrazolyl)-2-propenoic acid prop-2-enyl ester IUPAC Name: prop-2-enyl (E)-2-cyano-3-(1-phenylpyrazol-4-yl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(1-phenylpyrazol-4-yl)acrylic acid allyl ester Formula: C16H13N3O2 MolecularWeight: 279.29332

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13N3O2/c1-2-8-21-16(20)14(10-17)9-13-11-18-19(12-13)15-6-4-3-5-7-15/h2-7,9,11-12H,1,8H2/b14-9+