[2-oxidanylidene-2-(propan-2-ylcarbamoylamino)ethyl] 2-azanyl-4-(trifluoromethyl)benzoate

Systemtic Name: [2-oxidanylidene-2-(propan-2-ylcarbamoylamino)ethyl] 2-azanyl-4-(trifluoromethyl)benzoate Openeye Name: [2-(isopropylcarbamoylamino)-2-oxo-ethyl] 2-amino-4-(trifluoromethyl)benzoate CAS Name: 2-amino-4-(trifluoromethyl)benzoic acid [2-oxo-2-[[oxo-(propan-2-ylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-amino-4-(trifluoromethyl)benzoate Traditional Name: 2-amino-4-(trifluoromethyl)benzoic acid [2-(isopropylcarbamoylamino)-2-keto-ethyl] ester Formula: C14H16F3N3O4 MolecularWeight: 347.28975

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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