(2,5-dimethoxyphenyl)-(4,6-dinitro-5-oxidanyl-1-benzofuran-3-yl)methanone

Systemtic Name: (2,5-dimethoxyphenyl)-(4,6-dinitro-5-oxidanyl-1-benzofuran-3-yl)methanone Openeye Name: (2,5-dimethoxyphenyl)-(5-hydroxy-4,6-dinitro-benzofuran-3-yl)methanone CAS Name: (2,5-dimethoxyphenyl)-(5-hydroxy-4,6-dinitro-3-benzofuranyl)methanone IUPAC Name: (2,5-dimethoxyphenyl)-(5-hydroxy-4,6-dinitro-1-benzofuran-3-yl)methanone Traditional Name: (2,5-dimethoxyphenyl)-(5-hydroxy-4,6-dinitro-benzofuran-3-yl)methanone Formula: C17H12N2O9 MolecularWeight: 388.28518

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C(=O)C2=COC3=C2C(=C(C(=C3)[N+](=O)[O-])O)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C(=O)C2=COC3=C2C(=C(C(=C3)[N+](=O)[O-])O)[N+](=O)[O-]

InChI

InChI=1S/C17H12N2O9/c1-26-8-3-4-12(27-2)9(5-8)16(20)10-7-28-13-6-11(18(22)23)17(21)15(14(10)13)19(24)25/h3-7,21H,1-2H3