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

Systemtic Name: (2E)-2-[(3,4-dimethoxyphenyl)methylidene]-7-nitro-5,6-bis(oxidanyl)-3H-inden-1-one Openeye Name: (2E)-2-[(3,4-dimethoxyphenyl)methylene]-5,6-dihydroxy-7-nitro-indan-1-one CAS Name: (2E)-2-[(3,4-dimethoxyphenyl)methylidene]-5,6-dihydroxy-7-nitro-3H-inden-1-one IUPAC Name: (2E)-2-[(3,4-dimethoxyphenyl)methylidene]-5,6-dihydroxy-7-nitro-3H-inden-1-one Traditional Name: (2E)-5,6-dihydroxy-7-nitro-2-veratrylidene-indan-1-one Formula: C18H15NO7 MolecularWeight: 357.3142

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=C2CC3=CC(=C(C(=C3C2=O)[N+](=O)[O-])O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/2\CC3=CC(=C(C(=C3C2=O)[N+](=O)[O-])O)O)OC

InChI

InChI=1S/C18H15NO7/c1-25-13-4-3-9(6-14(13)26-2)5-11-7-10-8-12(20)18(22)16(19(23)24)15(10)17(11)21/h3-6,8,20,22H,7H2,1-2H3/b11-5+