(1R,2E)-1,7-dimethyl-2-[(3-nitro-4-oxidanyl-phenyl)methylidene]-3-oxidanylidene-1H-inden-4-olate

Systemtic Name: (1R,2E)-1,7-dimethyl-2-[(3-nitro-4-oxidanyl-phenyl)methylidene]-3-oxidanylidene-1H-inden-4-olate Openeye Name: (1R,2E)-2-[(4-hydroxy-3-nitro-phenyl)methylene]-1,7-dimethyl-3-oxo-indan-4-olate CAS Name: (1R,2E)-2-[(4-hydroxy-3-nitrophenyl)methylidene]-1,7-dimethyl-3-oxo-1H-inden-4-olate IUPAC Name: (1R,2E)-2-[(4-hydroxy-3-nitrophenyl)methylidene]-1,7-dimethyl-3-oxo-1H-inden-4-olate Traditional Name: (1R,2E)-2-(4-hydroxy-3-nitro-benzylidene)-3-keto-1,7-dimethyl-indan-4-olate Formula: C18H14NO5- MolecularWeight: 324.30746

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=CC2=CC(=C(C=C2)O)[N+](=O)[O-])C(=O)C3=C(C=CC(=C13)C)[O-]

Isomeric SMILES

C[C@H]1/C(=C\C2=CC(=C(C=C2)O)[N+](=O)[O-])/C(=O)C3=C(C=CC(=C13)C)[O-]

InChI

InChI=1S/C18H15NO5/c1-9-3-5-15(21)17-16(9)10(2)12(18(17)22)7-11-4-6-14(20)13(8-11)19(23)24/h3-8,10,20-21H,1-2H3/p-1/b12-7+/t10-/m0/s1