ethyl 2-methyl-4,6-dinitro-5-oxidanyl-1-benzofuran-3-carboxylate

Systemtic Name: ethyl 2-methyl-4,6-dinitro-5-oxidanyl-1-benzofuran-3-carboxylate Openeye Name: ethyl 5-hydroxy-2-methyl-4,6-dinitro-benzofuran-3-carboxylate CAS Name: 5-hydroxy-2-methyl-4,6-dinitro-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-hydroxy-2-methyl-4,6-dinitro-1-benzofuran-3-carboxylate Traditional Name: 5-hydroxy-2-methyl-4,6-dinitro-benzofuran-3-carboxylic acid ethyl ester Formula: C12H10N2O8 MolecularWeight: 310.2164

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C(=C(C(=C2)[N+](=O)[O-])O)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C(=C(C(=C2)[N+](=O)[O-])O)[N+](=O)[O-])C

InChI

InChI=1S/C12H10N2O8/c1-3-21-12(16)8-5(2)22-7-4-6(13(17)18)11(15)10(9(7)8)14(19)20/h4,15H,3H2,1-2H3