(2E)-2-[(3-methoxy-5-nitro-4-oxidanyl-phenyl)methylidene]-7-nitro-5,6-bis(oxidanyl)-3H-inden-1-one

Systemtic Name: (2E)-2-[(3-methoxy-5-nitro-4-oxidanyl-phenyl)methylidene]-7-nitro-5,6-bis(oxidanyl)-3H-inden-1-one Openeye Name: (2E)-5,6-dihydroxy-2-[(4-hydroxy-3-methoxy-5-nitro-phenyl)methylene]-7-nitro-indan-1-one CAS Name: (2E)-5,6-dihydroxy-2-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-7-nitro-3H-inden-1-one IUPAC Name: (2E)-5,6-dihydroxy-2-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-7-nitro-3H-inden-1-one Traditional Name: (2E)-5,6-dihydroxy-2-(4-hydroxy-3-methoxy-5-nitro-benzylidene)-7-nitro-indan-1-one Formula: C17H12N2O9 MolecularWeight: 388.28518

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)[N+](=O)[O-])C=C2CC3=CC(=C(C(=C3C2=O)[N+](=O)[O-])O)O

Isomeric SMILES

COC1=CC(=CC(=C1O)[N+](=O)[O-])/C=C/2\CC3=CC(=C(C(=C3C2=O)[N+](=O)[O-])O)O

InChI

InChI=1S/C17H12N2O9/c1-28-12-4-7(3-10(16(12)22)18(24)25)2-9-5-8-6-11(20)17(23)14(19(26)27)13(8)15(9)21/h2-4,6,20,22-23H,5H2,1H3/b9-2+