methyl 1-[4-cyclohexyl-2,3-bis(oxidanylidene)-7-(trifluoromethyl)-1H-quinoxalin-6-yl]pyrrole-2-carboxylate

Systemtic Name: methyl 1-[4-cyclohexyl-2,3-bis(oxidanylidene)-7-(trifluoromethyl)-1H-quinoxalin-6-yl]pyrrole-2-carboxylate Openeye Name: methyl 1-[4-cyclohexyl-2,3-dioxo-7-(trifluoromethyl)-1H-quinoxalin-6-yl]pyrrole-2-carboxylate CAS Name: 1-[4-cyclohexyl-2,3-dioxo-7-(trifluoromethyl)-1H-quinoxalin-6-yl]-2-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 1-[4-cyclohexyl-2,3-dioxo-7-(trifluoromethyl)-1H-quinoxalin-6-yl]pyrrole-2-carboxylate Traditional Name: 1-[4-cyclohexyl-2,3-diketo-7-(trifluoromethyl)-1H-quinoxalin-6-yl]pyrrole-2-carboxylic acid methyl ester Formula: C21H20F3N3O4 MolecularWeight: 435.39641

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CN1C2=CC3=C(C=C2C(F)(F)F)NC(=O)C(=O)N3C4CCCCC4

Isomeric SMILES

COC(=O)C1=CC=CN1C2=CC3=C(C=C2C(F)(F)F)NC(=O)C(=O)N3C4CCCCC4

InChI

InChI=1S/C21H20F3N3O4/c1-31-20(30)15-8-5-9-26(15)16-11-17-14(10-13(16)21(22,23)24)25-18(28)19(29)27(17)12-6-3-2-4-7-12/h5,8-12H,2-4,6-7H2,1H3,(H,25,28)