[(E)-2-cyano-2-phenyl-1-(2,4,5-trimethylpyrazol-3-yl)ethenyl] 2,2-dimethylpropanoate

Systemtic Name: [(E)-2-cyano-2-phenyl-1-(2,4,5-trimethylpyrazol-3-yl)ethenyl] 2,2-dimethylpropanoate Openeye Name: [(E)-2-cyano-2-phenyl-1-(2,4,5-trimethylpyrazol-3-yl)vinyl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [(E)-2-cyano-2-phenyl-1-(2,4,5-trimethyl-3-pyrazolyl)ethenyl] ester IUPAC Name: [(E)-2-cyano-2-phenyl-1-(2,4,5-trimethylpyrazol-3-yl)ethenyl] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [(E)-2-cyano-2-phenyl-1-(2,4,5-trimethylpyrazol-3-yl)vinyl] ester Formula: C20H23N3O2 MolecularWeight: 337.41552

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=C(N(N=C1C)C)/C(=C(\C#N)/C2=CC=CC=C2)/OC(=O)C(C)(C)C

InChI

InChI=1S/C20H23N3O2/c1-13-14(2)22-23(6)17(13)18(25-19(24)20(3,4)5)16(12-21)15-10-8-7-9-11-15/h7-11H,1-6H3/b18-16-