2-nitro-1-phenyl-heptane-1,5-dione

Systemtic Name: 2-nitro-1-phenyl-heptane-1,5-dione Openeye Name: 2-nitro-1-phenyl-heptane-1,5-dione CAS Name: 2-nitro-1-phenylheptane-1,5-dione IUPAC Name: 2-nitro-1-phenylheptane-1,5-dione Traditional Name: 2-nitro-1-phenyl-heptane-1,5-dione Formula: C13H15NO4 MolecularWeight: 249.2625

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO4/c1-2-11(15)8-9-12(14(17)18)13(16)10-6-4-3-5-7-10/h3-7,12H,2,8-9H2,1H3