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

Systemtic Name: (2E,3R)-3,4-dimethyl-2-[(3-nitro-4-oxidanyl-phenyl)methylidene]-7-oxidanyl-3H-inden-1-one Openeye Name: (2E,3R)-7-hydroxy-2-[(4-hydroxy-3-nitro-phenyl)methylene]-3,4-dimethyl-indan-1-one CAS Name: (2E,3R)-7-hydroxy-2-[(4-hydroxy-3-nitrophenyl)methylidene]-3,4-dimethyl-3H-inden-1-one IUPAC Name: (2E,3R)-7-hydroxy-2-[(4-hydroxy-3-nitrophenyl)methylidene]-3,4-dimethyl-3H-inden-1-one Traditional Name: (2E,3R)-7-hydroxy-2-(4-hydroxy-3-nitro-benzylidene)-3,4-dimethyl-indan-1-one Formula: C18H15NO5 MolecularWeight: 325.3154

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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/b12-7+/t10-/m0/s1