2-[(5-nitro-2-oxidanyl-phenyl)methylidene]cyclohexane-1,3-dione

Systemtic Name: 2-[(5-nitro-2-oxidanyl-phenyl)methylidene]cyclohexane-1,3-dione Openeye Name: 2-[(2-hydroxy-5-nitro-phenyl)methylene]cyclohexane-1,3-dione CAS Name: 2-[(2-hydroxy-5-nitrophenyl)methylidene]cyclohexane-1,3-dione IUPAC Name: 2-[(2-hydroxy-5-nitrophenyl)methylidene]cyclohexane-1,3-dione Traditional Name: 2-(2-hydroxy-5-nitro-benzylidene)cyclohexane-1,3-quinone Formula: C13H11NO5 MolecularWeight: 261.23014

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)C(=CC2=C(C=CC(=C2)[N+](=O)[O-])O)C(=O)C1

Isomeric SMILES

C1CC(=O)C(=CC2=C(C=CC(=C2)[N+](=O)[O-])O)C(=O)C1

InChI

InChI=1S/C13H11NO5/c15-11-5-4-9(14(18)19)6-8(11)7-10-12(16)2-1-3-13(10)17/h4-7,15H,1-3H2