2-(2-nitro-1-phenyl-ethyl)cyclohexane-1,3-dione

Systemtic Name: 2-(2-nitro-1-phenyl-ethyl)cyclohexane-1,3-dione Openeye Name: 2-(2-nitro-1-phenyl-ethyl)cyclohexane-1,3-dione CAS Name: 2-(2-nitro-1-phenylethyl)cyclohexane-1,3-dione IUPAC Name: 2-(2-nitro-1-phenylethyl)cyclohexane-1,3-dione Traditional Name: 2-(2-nitro-1-phenyl-ethyl)cyclohexane-1,3-quinone Formula: C14H15NO4 MolecularWeight: 261.2732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15NO4/c16-12-7-4-8-13(17)14(12)11(9-15(18)19)10-5-2-1-3-6-10/h1-3,5-6,11,14H,4,7-9H2