methyl (2R,3S)-4-azanylidene-3-cyano-2-[(4-methylphenyl)carbonylamino]-2-(trifluoromethyl)pentanoate

Systemtic Name: methyl (2R,3S)-4-azanylidene-3-cyano-2-[(4-methylphenyl)carbonylamino]-2-(trifluoromethyl)pentanoate Openeye Name: methyl (2R,3S)-3-cyano-4-imino-2-[(4-methylbenzoyl)amino]-2-(trifluoromethyl)pentanoate CAS Name: (2R,3S)-3-cyano-4-imino-2-[[(4-methylphenyl)-oxomethyl]amino]-2-(trifluoromethyl)pentanoic acid methyl ester IUPAC Name: methyl (2R,3S)-3-cyano-4-imino-2-[(4-methylbenzoyl)amino]-2-(trifluoromethyl)pentanoate Traditional Name: (2R,3S)-3-cyano-4-imino-2-(p-toluoylamino)-2-(trifluoromethyl)valeric acid methyl ester Formula: C16H16F3N3O3 MolecularWeight: 355.31175

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC(C(C#N)C(=N)C)(C(=O)OC)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N[C@]([C@H](C#N)C(=N)C)(C(=O)OC)C(F)(F)F

InChI

InChI=1S/C16H16F3N3O3/c1-9-4-6-11(7-5-9)13(23)22-15(14(24)25-3,16(17,18)19)12(8-20)10(2)21/h4-7,12,21H,1-3H3,(H,22,23)/t12-,15-/m1/s1