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

Systemtic Name: ethyl (E)-2-cyano-3-(1-phenylpyrazol-4-yl)prop-2-enoate Openeye Name: ethyl (E)-2-cyano-3-(1-phenylpyrazol-4-yl)prop-2-enoate CAS Name: (E)-2-cyano-3-(1-phenyl-4-pyrazolyl)-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-2-cyano-3-(1-phenylpyrazol-4-yl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(1-phenylpyrazol-4-yl)acrylic acid ethyl ester Formula: C15H13N3O2 MolecularWeight: 267.28262

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13N3O2/c1-2-20-15(19)13(9-16)8-12-10-17-18(11-12)14-6-4-3-5-7-14/h3-8,10-11H,2H2,1H3/b13-8+