ethyl 2-methyl-4-nitro-6-(trifluoromethyl)-1-benzofuran-3-carboxylate

Systemtic Name: ethyl 2-methyl-4-nitro-6-(trifluoromethyl)-1-benzofuran-3-carboxylate Openeye Name: ethyl 2-methyl-4-nitro-6-(trifluoromethyl)benzofuran-3-carboxylate CAS Name: 2-methyl-4-nitro-6-(trifluoromethyl)-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 2-methyl-4-nitro-6-(trifluoromethyl)-1-benzofuran-3-carboxylate Traditional Name: 2-methyl-4-nitro-6-(trifluoromethyl)benzofuran-3-carboxylic acid ethyl ester Formula: C13H10F3NO5 MolecularWeight: 317.21741

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=CC(=CC(=C21)[N+](=O)[O-])C(F)(F)F)C

Isomeric SMILES

CCOC(=O)C1=C(OC2=CC(=CC(=C21)[N+](=O)[O-])C(F)(F)F)C

InChI

InChI=1S/C13H10F3NO5/c1-3-21-12(18)10-6(2)22-9-5-7(13(14,15)16)4-8(11(9)10)17(19)20/h4-5H,3H2,1-2H3