4-nitro-7-phenyl-heptane-2,5-dione

Systemtic Name: 4-nitro-7-phenyl-heptane-2,5-dione Openeye Name: 4-nitro-7-phenyl-heptane-2,5-dione CAS Name: 4-nitro-7-phenylheptane-2,5-dione IUPAC Name: 4-nitro-7-phenylheptane-2,5-dione Traditional Name: 4-nitro-7-phenyl-heptane-2,5-dione Formula: C13H15NO4 MolecularWeight: 249.2625

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(C(=O)CCC1=CC=CC=C1)[N+](=O)[O-]

Isomeric SMILES

CC(=O)CC(C(=O)CCC1=CC=CC=C1)[N+](=O)[O-]

InChI

InChI=1S/C13H15NO4/c1-10(15)9-12(14(17)18)13(16)8-7-11-5-3-2-4-6-11/h2-6,12H,7-9H2,1H3