ethyl 7-bromanyl-3-methyl-5-nitro-4-oxidanyl-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 7-bromanyl-3-methyl-5-nitro-4-oxidanyl-1-benzofuran-2-carboxylate Openeye Name: ethyl 7-bromo-4-hydroxy-3-methyl-5-nitro-benzofuran-2-carboxylate CAS Name: 7-bromo-4-hydroxy-3-methyl-5-nitro-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 7-bromo-4-hydroxy-3-methyl-5-nitro-1-benzofuran-2-carboxylate Traditional Name: 7-bromo-4-hydroxy-3-methyl-5-nitro-coumarilic acid ethyl ester Formula: C12H10BrNO6 MolecularWeight: 344.1149

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(C(=CC(=C2O1)Br)[N+](=O)[O-])O)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(C(=CC(=C2O1)Br)[N+](=O)[O-])O)C

InChI

InChI=1S/C12H10BrNO6/c1-3-19-12(16)10-5(2)8-9(15)7(14(17)18)4-6(13)11(8)20-10/h4,15H,3H2,1-2H3