[2-oxidanylidene-2-(1H-pyrrol-2-ylcarbonylamino)ethyl] 3,5-bis(trifluoromethyl)benzoate

Systemtic Name: [2-oxidanylidene-2-(1H-pyrrol-2-ylcarbonylamino)ethyl] 3,5-bis(trifluoromethyl)benzoate Openeye Name: [2-oxo-2-(1H-pyrrole-2-carbonylamino)ethyl] 3,5-bis(trifluoromethyl)benzoate CAS Name: 3,5-bis(trifluoromethyl)benzoic acid [2-oxo-2-[[oxo(1H-pyrrol-2-yl)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(1H-pyrrole-2-carbonylamino)ethyl] 3,5-bis(trifluoromethyl)benzoate Traditional Name: 3,5-bis(trifluoromethyl)benzoic acid [2-keto-2-(1H-pyrrole-2-carbonylamino)ethyl] ester Formula: C16H10F6N2O4 MolecularWeight: 408.252019

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Descriptors Computed from Structure

Canonical SMILES:

C1=CNC(=C1)C(=O)NC(=O)COC(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

Isomeric SMILES

C1=CNC(=C1)C(=O)NC(=O)COC(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C16H10F6N2O4/c17-15(18,19)9-4-8(5-10(6-9)16(20,21)22)14(27)28-7-12(25)24-13(26)11-2-1-3-23-11/h1-6,23H,7H2,(H,24,25,26)