2-methyl-1-(3-nitrophenyl)octane-1,3-dione

Systemtic Name: 2-methyl-1-(3-nitrophenyl)octane-1,3-dione Openeye Name: 2-methyl-1-(3-nitrophenyl)octane-1,3-dione CAS Name: 2-methyl-1-(3-nitrophenyl)octane-1,3-dione IUPAC Name: 2-methyl-1-(3-nitrophenyl)octane-1,3-dione Traditional Name: 2-methyl-1-(3-nitrophenyl)octane-1,3-dione Formula: C15H19NO4 MolecularWeight: 277.31566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19NO4/c1-3-4-5-9-14(17)11(2)15(18)12-7-6-8-13(10-12)16(19)20/h6-8,10-11H,3-5,9H2,1-2H3