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

Systemtic Name: butyl (E)-2-cyano-3-(1-phenylpyrazol-4-yl)prop-2-enoate Openeye Name: butyl (E)-2-cyano-3-(1-phenylpyrazol-4-yl)prop-2-enoate CAS Name: (E)-2-cyano-3-(1-phenyl-4-pyrazolyl)-2-propenoic acid butyl ester IUPAC Name: butyl (E)-2-cyano-3-(1-phenylpyrazol-4-yl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(1-phenylpyrazol-4-yl)acrylic acid butyl ester Formula: C17H17N3O2 MolecularWeight: 295.33578

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N3O2/c1-2-3-9-22-17(21)15(11-18)10-14-12-19-20(13-14)16-7-5-4-6-8-16/h4-8,10,12-13H,2-3,9H2,1H3/b15-10+