4-[cyanomethyl-[4-(trifluoromethyl)pyridin-3-yl]carbonyl-amino]-2,2-dimethyl-butanoate

Systemtic Name: 4-[cyanomethyl-[4-(trifluoromethyl)pyridin-3-yl]carbonyl-amino]-2,2-dimethyl-butanoate Openeye Name: 4-[cyanomethyl-[4-(trifluoromethyl)pyridine-3-carbonyl]amino]-2,2-dimethyl-butanoate CAS Name: 4-[cyanomethyl-[oxo-[4-(trifluoromethyl)-3-pyridinyl]methyl]amino]-2,2-dimethylbutanoate IUPAC Name: 4-[cyanomethyl-[4-(trifluoromethyl)pyridine-3-carbonyl]amino]-2,2-dimethylbutanoate Traditional Name: 4-[cyanomethyl-[4-(trifluoromethyl)nicotinoyl]amino]-2,2-dimethyl-butyrate Formula: C15H15F3N3O3- MolecularWeight: 342.29311

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCN(CC#N)C(=O)C1=C(C=CN=C1)C(F)(F)F)C(=O)[O-]

Isomeric SMILES

CC(C)(CCN(CC#N)C(=O)C1=C(C=CN=C1)C(F)(F)F)C(=O)[O-]

InChI

InChI=1S/C15H16F3N3O3/c1-14(2,13(23)24)4-7-21(8-5-19)12(22)10-9-20-6-3-11(10)15(16,17)18/h3,6,9H,4,7-8H2,1-2H3,(H,23,24)/p-1