ethyl 3-ethanoyl-5-methyl-2-oxidanyl-1-(phenylcarbamoylamino)-2-(trifluoromethyl)-3H-pyrrole-4-carboxylate

Systemtic Name: ethyl 3-ethanoyl-5-methyl-2-oxidanyl-1-(phenylcarbamoylamino)-2-(trifluoromethyl)-3H-pyrrole-4-carboxylate Openeye Name: ethyl 3-acetyl-2-hydroxy-5-methyl-1-(phenylcarbamoylamino)-2-(trifluoromethyl)-3H-pyrrole-4-carboxylate CAS Name: 3-acetyl-1-[[anilino(oxo)methyl]amino]-2-hydroxy-5-methyl-2-(trifluoromethyl)-3H-pyrrole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 3-acetyl-2-hydroxy-5-methyl-1-(phenylcarbamoylamino)-2-(trifluoromethyl)-3H-pyrrole-4-carboxylate Traditional Name: 4-acetyl-5-hydroxy-2-methyl-1-(phenylcarbamoylamino)-5-(trifluoromethyl)-2-pyrroline-3-carboxylic acid ethyl ester Formula: C18H20F3N3O5 MolecularWeight: 415.36371

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(C1C(=O)C)(C(F)(F)F)O)NC(=O)NC2=CC=CC=C2)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(C1C(=O)C)(C(F)(F)F)O)NC(=O)NC2=CC=CC=C2)C

InChI

InChI=1S/C18H20F3N3O5/c1-4-29-15(26)13-10(2)24(17(28,18(19,20)21)14(13)11(3)25)23-16(27)22-12-8-6-5-7-9-12/h5-9,14,28H,4H2,1-3H3,(H2,22,23,27)