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

Systemtic Name: [2-(2-methylpropylcarbamoylamino)-2-oxidanylidene-ethyl] 2-azanyl-4-(trifluoromethyl)benzoate Openeye Name: [2-(isobutylcarbamoylamino)-2-oxo-ethyl] 2-amino-4-(trifluoromethyl)benzoate CAS Name: 2-amino-4-(trifluoromethyl)benzoic acid [2-[[(2-methylpropylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-amino-4-(trifluoromethyl)benzoate Traditional Name: 2-amino-4-(trifluoromethyl)benzoic acid [2-(isobutylcarbamoylamino)-2-keto-ethyl] ester Formula: C15H18F3N3O4 MolecularWeight: 361.31633

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18F3N3O4/c1-8(2)6-20-14(24)21-12(22)7-25-13(23)10-4-3-9(5-11(10)19)15(16,17)18/h3-5,8H,6-7,19H2,1-2H3,(H2,20,21,22,24)