[1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 3,5-bis(trifluoromethyl)benzoate

Systemtic Name: [1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 3,5-bis(trifluoromethyl)benzoate Openeye Name: (1-allophanoyl-2-methyl-propyl) 3,5-bis(trifluoromethyl)benzoate CAS Name: 3,5-bis(trifluoromethyl)benzoic acid [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 3,5-bis(trifluoromethyl)benzoate Traditional Name: 3,5-bis(trifluoromethyl)benzoic acid (1-allophanoyl-2-methyl-propyl) ester Formula: C15H14F6N2O4 MolecularWeight: 400.273079

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14F6N2O4/c1-6(2)10(11(24)23-13(22)26)27-12(25)7-3-8(14(16,17)18)5-9(4-7)15(19,20)21/h3-6,10H,1-2H3,(H3,22,23,24,26)