1-(4-methyl-3-nitro-phenyl)octane-1,3-dione

Systemtic Name: 1-(4-methyl-3-nitro-phenyl)octane-1,3-dione Openeye Name: 1-(4-methyl-3-nitro-phenyl)octane-1,3-dione CAS Name: 1-(4-methyl-3-nitrophenyl)octane-1,3-dione IUPAC Name: 1-(4-methyl-3-nitrophenyl)octane-1,3-dione Traditional Name: 1-(4-methyl-3-nitro-phenyl)octane-1,3-dione Formula: C15H19NO4 MolecularWeight: 277.31566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19NO4/c1-3-4-5-6-13(17)10-15(18)12-8-7-11(2)14(9-12)16(19)20/h7-9H,3-6,10H2,1-2H3