ethyl 3-methyl-5,7-dinitro-4-oxidanyl-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 3-methyl-5,7-dinitro-4-oxidanyl-1-benzofuran-2-carboxylate Openeye Name: ethyl 4-hydroxy-3-methyl-5,7-dinitro-benzofuran-2-carboxylate CAS Name: 4-hydroxy-3-methyl-5,7-dinitro-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 4-hydroxy-3-methyl-5,7-dinitro-1-benzofuran-2-carboxylate Traditional Name: 4-hydroxy-3-methyl-5,7-dinitro-coumarilic acid ethyl ester Formula: C12H10N2O8 MolecularWeight: 310.2164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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