[(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl] 2-azanyl-4-(trifluoromethyl)benzoate

Systemtic Name: [(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl] 2-azanyl-4-(trifluoromethyl)benzoate Openeye Name: [(1S)-2-(ethylamino)-1-methyl-2-oxo-ethyl] 2-amino-4-(trifluoromethyl)benzoate CAS Name: 2-amino-4-(trifluoromethyl)benzoic acid [(2S)-1-(ethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(ethylamino)-1-oxopropan-2-yl] 2-amino-4-(trifluoromethyl)benzoate Traditional Name: 2-amino-4-(trifluoromethyl)benzoic acid [(1S)-2-(ethylamino)-2-keto-1-methyl-ethyl] ester Formula: C13H15F3N2O3 MolecularWeight: 304.26501

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(C)OC(=O)C1=C(C=C(C=C1)C(F)(F)F)N

Isomeric SMILES

CCNC(=O)[C@H](C)OC(=O)C1=C(C=C(C=C1)C(F)(F)F)N

InChI

InChI=1S/C13H15F3N2O3/c1-3-18-11(19)7(2)21-12(20)9-5-4-8(6-10(9)17)13(14,15)16/h4-7H,3,17H2,1-2H3,(H,18,19)/t7-/m0/s1