3-(4-nitrophenyl)oxepane-2,7-dione

Systemtic Name: 3-(4-nitrophenyl)oxepane-2,7-dione Openeye Name: 3-(4-nitrophenyl)oxepane-2,7-dione CAS Name: 3-(4-nitrophenyl)oxepane-2,7-dione IUPAC Name: 3-(4-nitrophenyl)oxepane-2,7-dione Traditional Name: 3-(4-nitrophenyl)oxepane-2,7-quinone Formula: C12H11NO5 MolecularWeight: 249.21944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11NO5/c14-11-3-1-2-10(12(15)18-11)8-4-6-9(7-5-8)13(16)17/h4-7,10H,1-3H2