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

Systemtic Name: 1-(2-nitro-5-phenoxy-phenyl)hexane-1,3,5-trione Openeye Name: 1-(2-nitro-5-phenoxy-phenyl)hexane-1,3,5-trione CAS Name: 1-(2-nitro-5-phenoxyphenyl)hexane-1,3,5-trione IUPAC Name: 1-(2-nitro-5-phenoxyphenyl)hexane-1,3,5-trione Traditional Name: 1-(2-nitro-5-phenoxy-phenyl)hexane-1,3,5-trione Formula: C18H15NO6 MolecularWeight: 341.3148

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)CC(=O)C1=C(C=CC(=C1)OC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC(=O)CC(=O)CC(=O)C1=C(C=CC(=C1)OC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H15NO6/c1-12(20)9-13(21)10-18(22)16-11-15(7-8-17(16)19(23)24)25-14-5-3-2-4-6-14/h2-8,11H,9-10H2,1H3