ethyl 4-benzamido-1-(furan-2-ylmethyl)-2-methyl-5-oxidanylidene-4-(trifluoromethyl)pyrrole-3-carboxylate

Systemtic Name: ethyl 4-benzamido-1-(furan-2-ylmethyl)-2-methyl-5-oxidanylidene-4-(trifluoromethyl)pyrrole-3-carboxylate Openeye Name: ethyl 4-benzamido-1-(2-furylmethyl)-2-methyl-5-oxo-4-(trifluoromethyl)pyrrole-3-carboxylate CAS Name: 4-benzamido-1-(2-furanylmethyl)-2-methyl-5-oxo-4-(trifluoromethyl)-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-benzamido-1-(furan-2-ylmethyl)-2-methyl-5-oxo-4-(trifluoromethyl)pyrrole-3-carboxylate Traditional Name: 4-benzamido-1-(2-furfuryl)-5-keto-2-methyl-4-(trifluoromethyl)-2-pyrroline-3-carboxylic acid ethyl ester Formula: C21H19F3N2O5 MolecularWeight: 436.38117

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=O)C1(C(F)(F)F)NC(=O)C2=CC=CC=C2)CC3=CC=CO3)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)C1(C(F)(F)F)NC(=O)C2=CC=CC=C2)CC3=CC=CO3)C

InChI

InChI=1S/C21H19F3N2O5/c1-3-30-18(28)16-13(2)26(12-15-10-7-11-31-15)19(29)20(16,21(22,23)24)25-17(27)14-8-5-4-6-9-14/h4-11H,3,12H2,1-2H3,(H,25,27)