[(2R)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 2-azanyl-4-(trifluoromethyl)benzoate

Systemtic Name: [(2R)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 2-azanyl-4-(trifluoromethyl)benzoate Openeye Name: [(1R)-1-allophanoyl-2-methyl-propyl] 2-amino-4-(trifluoromethyl)benzoate CAS Name: 2-amino-4-(trifluoromethyl)benzoic acid [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-amino-4-(trifluoromethyl)benzoate Traditional Name: 2-amino-4-(trifluoromethyl)benzoic acid [(1R)-1-allophanoyl-2-methyl-propyl] ester Formula: C14H16F3N3O4 MolecularWeight: 347.28975

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16F3N3O4/c1-6(2)10(11(21)20-13(19)23)24-12(22)8-4-3-7(5-9(8)18)14(15,16)17/h3-6,10H,18H2,1-2H3,(H3,19,20,21,23)/t10-/m1/s1