methyl (4S)-2-methyl-5-oxidanylidene-4-(propanoylamino)-4-(trifluoromethyl)-1H-pyrrole-3-carboxylate

Systemtic Name: methyl (4S)-2-methyl-5-oxidanylidene-4-(propanoylamino)-4-(trifluoromethyl)-1H-pyrrole-3-carboxylate Openeye Name: methyl (4S)-2-methyl-5-oxo-4-(propanoylamino)-4-(trifluoromethyl)-1H-pyrrole-3-carboxylate CAS Name: (4S)-2-methyl-5-oxo-4-(1-oxopropylamino)-4-(trifluoromethyl)-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl (4S)-2-methyl-5-oxo-4-(propanoylamino)-4-(trifluoromethyl)-1H-pyrrole-3-carboxylate Traditional Name: (4S)-5-keto-2-methyl-4-propionamido-4-(trifluoromethyl)-2-pyrroline-3-carboxylic acid methyl ester Formula: C11H13F3N2O4 MolecularWeight: 294.22713

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1(C(=C(NC1=O)C)C(=O)OC)C(F)(F)F

Isomeric SMILES

CCC(=O)N[C@]1(C(=C(NC1=O)C)C(=O)OC)C(F)(F)F

InChI

InChI=1S/C11H13F3N2O4/c1-4-6(17)16-10(11(12,13)14)7(8(18)20-3)5(2)15-9(10)19/h4H2,1-3H3,(H,15,19)(H,16,17)/t10-/m0/s1