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

Systemtic Name: (2E)-2-[(3,5-dimethyl-4-oxidanyl-phenyl)methylidene]-5,6-dimethoxy-7-nitro-3H-inden-1-one Openeye Name: (2E)-2-[(4-hydroxy-3,5-dimethyl-phenyl)methylene]-5,6-dimethoxy-7-nitro-indan-1-one CAS Name: (2E)-2-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-5,6-dimethoxy-7-nitro-3H-inden-1-one IUPAC Name: (2E)-2-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-5,6-dimethoxy-7-nitro-3H-inden-1-one Traditional Name: (2E)-2-(4-hydroxy-3,5-dimethyl-benzylidene)-5,6-dimethoxy-7-nitro-indan-1-one Formula: C20H19NO6 MolecularWeight: 369.36796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1O)C)C=C2CC3=CC(=C(C(=C3C2=O)[N+](=O)[O-])OC)OC

Isomeric SMILES

CC1=CC(=CC(=C1O)C)/C=C/2\CC3=CC(=C(C(=C3C2=O)[N+](=O)[O-])OC)OC

InChI

InChI=1S/C20H19NO6/c1-10-5-12(6-11(2)18(10)22)7-14-8-13-9-15(26-3)20(27-4)17(21(24)25)16(13)19(14)23/h5-7,9,22H,8H2,1-4H3/b14-7+