ethyl 2-(4-tert-butylphenyl)-2-cyano-3-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-3-oxidanylidene-propanoate

Systemtic Name: ethyl 2-(4-tert-butylphenyl)-2-cyano-3-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-3-oxidanylidene-propanoate Openeye Name: ethyl 2-(4-tert-butylphenyl)-2-cyano-3-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-3-oxo-propanoate CAS Name: 2-(4-tert-butylphenyl)-2-cyano-3-[1-methyl-3-(trifluoromethyl)-4-pyrazolyl]-3-oxopropanoic acid ethyl ester IUPAC Name: ethyl 2-(4-tert-butylphenyl)-2-cyano-3-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-3-oxopropanoate Traditional Name: 2-(4-tert-butylphenyl)-2-cyano-3-keto-3-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]propionic acid ethyl ester Formula: C21H22F3N3O3 MolecularWeight: 421.41289

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C#N)(C1=CC=C(C=C1)C(C)(C)C)C(=O)C2=CN(N=C2C(F)(F)F)C

Isomeric SMILES

CCOC(=O)C(C#N)(C1=CC=C(C=C1)C(C)(C)C)C(=O)C2=CN(N=C2C(F)(F)F)C

InChI

InChI=1S/C21H22F3N3O3/c1-6-30-18(29)20(12-25,14-9-7-13(8-10-14)19(2,3)4)17(28)15-11-27(5)26-16(15)21(22,23)24/h7-11H,6H2,1-5H3