ethyl (E)-2-cyano-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)prop-2-enoate

Systemtic Name: ethyl (E)-2-cyano-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)prop-2-enoate Openeye Name: ethyl (E)-2-cyano-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)prop-2-enoate CAS Name: (E)-2-cyano-3-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-2-cyano-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acrylic acid ethyl ester Formula: C17H17N3O2 MolecularWeight: 295.33578

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1=C(N(N=C1C)C2=CC=CC=C2)C)C#N

Isomeric SMILES

CCOC(=O)/C(=C/C1=C(N(N=C1C)C2=CC=CC=C2)C)/C#N

InChI

InChI=1S/C17H17N3O2/c1-4-22-17(21)14(11-18)10-16-12(2)19-20(13(16)3)15-8-6-5-7-9-15/h5-10H,4H2,1-3H3/b14-10+