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

Systemtic Name: ethyl 3-methyl-5-nitro-4-oxidanyl-1-benzofuran-2-carboxylate Openeye Name: ethyl 4-hydroxy-3-methyl-5-nitro-benzofuran-2-carboxylate CAS Name: 4-hydroxy-3-methyl-5-nitro-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 4-hydroxy-3-methyl-5-nitro-1-benzofuran-2-carboxylate Traditional Name: 4-hydroxy-3-methyl-5-nitro-coumarilic acid ethyl ester Formula: C12H11NO6 MolecularWeight: 265.21884

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2O)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2O)[N+](=O)[O-])C

InChI

InChI=1S/C12H11NO6/c1-3-18-12(15)11-6(2)9-8(19-11)5-4-7(10(9)14)13(16)17/h4-5,14H,3H2,1-2H3