1-(5-methoxy-2-nitro-phenyl)hexane-1,3,5-trione

Systemtic Name: 1-(5-methoxy-2-nitro-phenyl)hexane-1,3,5-trione Openeye Name: 1-(5-methoxy-2-nitro-phenyl)hexane-1,3,5-trione CAS Name: 1-(5-methoxy-2-nitrophenyl)hexane-1,3,5-trione IUPAC Name: 1-(5-methoxy-2-nitrophenyl)hexane-1,3,5-trione Traditional Name: 1-(5-methoxy-2-nitro-phenyl)hexane-1,3,5-trione Formula: C13H13NO6 MolecularWeight: 279.24542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13NO6/c1-8(15)5-9(16)6-13(17)11-7-10(20-2)3-4-12(11)14(18)19/h3-4,7H,5-6H2,1-2H3