ethyl (E)-2-cyano-3-[1-phenyl-3-(2,4,6-trimethylphenyl)pyrazol-4-yl]prop-2-enoate

Systemtic Name: ethyl (E)-2-cyano-3-[1-phenyl-3-(2,4,6-trimethylphenyl)pyrazol-4-yl]prop-2-enoate Openeye Name: ethyl (E)-2-cyano-3-[1-phenyl-3-(2,4,6-trimethylphenyl)pyrazol-4-yl]prop-2-enoate CAS Name: (E)-2-cyano-3-[1-phenyl-3-(2,4,6-trimethylphenyl)-4-pyrazolyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-2-cyano-3-[1-phenyl-3-(2,4,6-trimethylphenyl)pyrazol-4-yl]prop-2-enoate Traditional Name: (E)-2-cyano-3-(3-mesityl-1-phenyl-pyrazol-4-yl)acrylic acid ethyl ester Formula: C24H23N3O2 MolecularWeight: 385.45832

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1=CN(N=C1C2=C(C=C(C=C2C)C)C)C3=CC=CC=C3)C#N

Isomeric SMILES

CCOC(=O)/C(=C/C1=CN(N=C1C2=C(C=C(C=C2C)C)C)C3=CC=CC=C3)/C#N

InChI

InChI=1S/C24H23N3O2/c1-5-29-24(28)19(14-25)13-20-15-27(21-9-7-6-8-10-21)26-23(20)22-17(3)11-16(2)12-18(22)4/h6-13,15H,5H2,1-4H3/b19-13+