5-(3-nitrophenyl)cyclohexane-1,3-dione

Systemtic Name: 5-(3-nitrophenyl)cyclohexane-1,3-dione Openeye Name: 5-(3-nitrophenyl)cyclohexane-1,3-dione CAS Name: 5-(3-nitrophenyl)cyclohexane-1,3-dione IUPAC Name: 5-(3-nitrophenyl)cyclohexane-1,3-dione Traditional Name: 5-(3-nitrophenyl)cyclohexane-1,3-quinone Formula: C12H11NO4 MolecularWeight: 233.22004

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CC(=O)CC1=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

C1C(CC(=O)CC1=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H11NO4/c14-11-5-9(6-12(15)7-11)8-2-1-3-10(4-8)13(16)17/h1-4,9H,5-7H2