methyl 3-[3-methyl-2,6-bis(oxidanylidene)-4-(trifluoromethyl)pyrimidin-1-yl]-6-nitro-1-benzofuran-5-carboxylate

Systemtic Name: methyl 3-[3-methyl-2,6-bis(oxidanylidene)-4-(trifluoromethyl)pyrimidin-1-yl]-6-nitro-1-benzofuran-5-carboxylate Openeye Name: methyl 3-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]-6-nitro-benzofuran-5-carboxylate CAS Name: 3-[3-methyl-2,6-dioxo-4-(trifluoromethyl)-1-pyrimidinyl]-6-nitro-5-benzofurancarboxylic acid methyl ester IUPAC Name: methyl 3-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]-6-nitro-1-benzofuran-5-carboxylate Traditional Name: 3-[2,6-diketo-3-methyl-4-(trifluoromethyl)pyrimidin-1-yl]-6-nitro-benzofuran-5-carboxylic acid methyl ester Formula: C16H10F3N3O7 MolecularWeight: 413.26171

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=O)N(C1=O)C2=COC3=CC(=C(C=C32)C(=O)OC)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

CN1C(=CC(=O)N(C1=O)C2=COC3=CC(=C(C=C32)C(=O)OC)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C16H10F3N3O7/c1-20-12(16(17,18)19)5-13(23)21(15(20)25)10-6-29-11-4-9(22(26)27)8(3-7(10)11)14(24)28-2/h3-6H,1-2H3