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

Systemtic Name: ethyl 3-[3-methyl-2,6-bis(oxidanylidene)-4-(trifluoromethyl)pyrimidin-1-yl]-6-nitro-1-benzofuran-5-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C17H12F3N3O7 MolecularWeight: 427.28829

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C2C(=C1)C(=CO2)N3C(=O)C=C(N(C3=O)C)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(C=C2C(=C1)C(=CO2)N3C(=O)C=C(N(C3=O)C)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C17H12F3N3O7/c1-3-29-15(25)9-4-8-11(7-30-12(8)5-10(9)23(27)28)22-14(24)6-13(17(18,19)20)21(2)16(22)26/h4-7H,3H2,1-2H3