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

Systemtic Name: methyl (4S)-2-methyl-5-oxidanylidene-4-(pyridin-4-ylcarbonylamino)-4-(trifluoromethyl)-1H-pyrrole-3-carboxylate Openeye Name: methyl (4S)-2-methyl-5-oxo-4-(pyridine-4-carbonylamino)-4-(trifluoromethyl)-1H-pyrrole-3-carboxylate CAS Name: (4S)-2-methyl-5-oxo-4-[[oxo(pyridin-4-yl)methyl]amino]-4-(trifluoromethyl)-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl (4S)-2-methyl-5-oxo-4-(pyridine-4-carbonylamino)-4-(trifluoromethyl)-1H-pyrrole-3-carboxylate Traditional Name: (4S)-4-isonicotinamido-5-keto-2-methyl-4-(trifluoromethyl)-2-pyrroline-3-carboxylic acid methyl ester Formula: C14H12F3N3O4 MolecularWeight: 343.25799

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=O)N1)(C(F)(F)F)NC(=O)C2=CC=NC=C2)C(=O)OC

Isomeric SMILES

CC1=C([C@](C(=O)N1)(C(F)(F)F)NC(=O)C2=CC=NC=C2)C(=O)OC

InChI

InChI=1S/C14H12F3N3O4/c1-7-9(11(22)24-2)13(12(23)19-7,14(15,16)17)20-10(21)8-3-5-18-6-4-8/h3-6H,1-2H3,(H,19,23)(H,20,21)/t13-/m0/s1