[(2R)-1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl] 2-azanyl-4-(trifluoromethyl)benzoate

Systemtic Name: [(2R)-1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl] 2-azanyl-4-(trifluoromethyl)benzoate Openeye Name: [(1R)-2-(cyclopropylamino)-1-methyl-2-oxo-ethyl] 2-amino-4-(trifluoromethyl)benzoate CAS Name: 2-amino-4-(trifluoromethyl)benzoic acid [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-amino-4-(trifluoromethyl)benzoate Traditional Name: 2-amino-4-(trifluoromethyl)benzoic acid [(1R)-2-(cyclopropylamino)-2-keto-1-methyl-ethyl] ester Formula: C14H15F3N2O3 MolecularWeight: 316.27571

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CC1)OC(=O)C2=C(C=C(C=C2)C(F)(F)F)N

Isomeric SMILES

C[C@H](C(=O)NC1CC1)OC(=O)C2=C(C=C(C=C2)C(F)(F)F)N

InChI

InChI=1S/C14H15F3N2O3/c1-7(12(20)19-9-3-4-9)22-13(21)10-5-2-8(6-11(10)18)14(15,16)17/h2,5-7,9H,3-4,18H2,1H3,(H,19,20)/t7-/m1/s1