9-[(3-nitro-4-oxidanyl-phenyl)methylidene]-7,11-dioxaspiro[5.5]undecane-8,10-dione

Systemtic Name: 9-[(3-nitro-4-oxidanyl-phenyl)methylidene]-7,11-dioxaspiro[5.5]undecane-8,10-dione Openeye Name: 9-[(4-hydroxy-3-nitro-phenyl)methylene]-7,11-dioxaspiro[5.5]undecane-8,10-dione CAS Name: 9-[(4-hydroxy-3-nitrophenyl)methylidene]-7,11-dioxaspiro[5.5]undecane-8,10-dione IUPAC Name: 9-[(4-hydroxy-3-nitrophenyl)methylidene]-7,11-dioxaspiro[5.5]undecane-8,10-dione Traditional Name: 9-(4-hydroxy-3-nitro-benzylidene)-7,11-dioxaspiro[5.5]undecane-8,10-quinone Formula: C16H15NO7 MolecularWeight: 333.2928

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(CC1)OC(=O)C(=CC3=CC(=C(C=C3)O)[N+](=O)[O-])C(=O)O2

Isomeric SMILES

C1CCC2(CC1)OC(=O)C(=CC3=CC(=C(C=C3)O)[N+](=O)[O-])C(=O)O2

InChI

InChI=1S/C16H15NO7/c18-13-5-4-10(9-12(13)17(21)22)8-11-14(19)23-16(24-15(11)20)6-2-1-3-7-16/h4-5,8-9,18H,1-3,6-7H2