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

Systemtic Name: 1-(5-butoxy-2-nitro-phenyl)hexane-1,3,5-trione Openeye Name: 1-(5-butoxy-2-nitro-phenyl)hexane-1,3,5-trione CAS Name: 1-(5-butoxy-2-nitrophenyl)hexane-1,3,5-trione IUPAC Name: 1-(5-butoxy-2-nitrophenyl)hexane-1,3,5-trione Traditional Name: 1-(5-butoxy-2-nitro-phenyl)hexane-1,3,5-trione Formula: C16H19NO6 MolecularWeight: 321.32516

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC(=C(C=C1)[N+](=O)[O-])C(=O)CC(=O)CC(=O)C

Isomeric SMILES

CCCCOC1=CC(=C(C=C1)[N+](=O)[O-])C(=O)CC(=O)CC(=O)C

InChI

InChI=1S/C16H19NO6/c1-3-4-7-23-13-5-6-15(17(21)22)14(10-13)16(20)9-12(19)8-11(2)18/h5-6,10H,3-4,7-9H2,1-2H3