[2-(aminocarbonylamino)-2-oxidanylidene-ethyl] 3,5-bis(trifluoromethyl)benzoate

Systemtic Name: [2-(aminocarbonylamino)-2-oxidanylidene-ethyl] 3,5-bis(trifluoromethyl)benzoate Openeye Name: (2-oxo-2-ureido-ethyl) 3,5-bis(trifluoromethyl)benzoate CAS Name: 3,5-bis(trifluoromethyl)benzoic acid [2-(carbamoylamino)-2-oxoethyl] ester IUPAC Name: [2-(carbamoylamino)-2-oxoethyl] 3,5-bis(trifluoromethyl)benzoate Traditional Name: 3,5-bis(trifluoromethyl)benzoic acid (2-keto-2-ureido-ethyl) ester Formula: C12H8F6N2O4 MolecularWeight: 358.193339

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)C(=O)OCC(=O)NC(=O)N

Isomeric SMILES

C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)C(=O)OCC(=O)NC(=O)N

InChI

InChI=1S/C12H8F6N2O4/c13-11(14,15)6-1-5(2-7(3-6)12(16,17)18)9(22)24-4-8(21)20-10(19)23/h1-3H,4H2,(H3,19,20,21,23)