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

Systemtic Name: (2,5-dimethoxyphenyl)-(2-methyl-4,6-dinitro-5-oxidanyl-1-benzofuran-3-yl)methanone Openeye Name: (2,5-dimethoxyphenyl)-(5-hydroxy-2-methyl-4,6-dinitro-benzofuran-3-yl)methanone CAS Name: (2,5-dimethoxyphenyl)-(5-hydroxy-2-methyl-4,6-dinitro-3-benzofuranyl)methanone IUPAC Name: (2,5-dimethoxyphenyl)-(5-hydroxy-2-methyl-4,6-dinitro-1-benzofuran-3-yl)methanone Traditional Name: (2,5-dimethoxyphenyl)-(5-hydroxy-2-methyl-4,6-dinitro-benzofuran-3-yl)methanone Formula: C18H14N2O9 MolecularWeight: 402.31176

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(O1)C=C(C(=C2[N+](=O)[O-])O)[N+](=O)[O-])C(=O)C3=C(C=CC(=C3)OC)OC

Isomeric SMILES

CC1=C(C2=C(O1)C=C(C(=C2[N+](=O)[O-])O)[N+](=O)[O-])C(=O)C3=C(C=CC(=C3)OC)OC

InChI

InChI=1S/C18H14N2O9/c1-8-14(17(21)10-6-9(27-2)4-5-12(10)28-3)15-13(29-8)7-11(19(23)24)18(22)16(15)20(25)26/h4-7,22H,1-3H3