5-(2-fluoranyl-5-nitro-phenyl)-2-(1-oxidanylbutylidene)cyclohexane-1,3-dione

Systemtic Name: 5-(2-fluoranyl-5-nitro-phenyl)-2-(1-oxidanylbutylidene)cyclohexane-1,3-dione Openeye Name: 5-(2-fluoro-5-nitro-phenyl)-2-(1-hydroxybutylidene)cyclohexane-1,3-dione CAS Name: 5-(2-fluoro-5-nitrophenyl)-2-(1-hydroxybutylidene)cyclohexane-1,3-dione IUPAC Name: 5-(2-fluoro-5-nitrophenyl)-2-(1-hydroxybutylidene)cyclohexane-1,3-dione Traditional Name: 5-(2-fluoro-5-nitro-phenyl)-2-(1-hydroxybutylidene)cyclohexane-1,3-quinone Formula: C16H16FNO5 MolecularWeight: 321.300343

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=C1C(=O)CC(CC1=O)C2=C(C=CC(=C2)[N+](=O)[O-])F)O

Isomeric SMILES

CCCC(=C1C(=O)CC(CC1=O)C2=C(C=CC(=C2)[N+](=O)[O-])F)O

InChI

InChI=1S/C16H16FNO5/c1-2-3-13(19)16-14(20)6-9(7-15(16)21)11-8-10(18(22)23)4-5-12(11)17/h4-5,8-9,19H,2-3,6-7H2,1H3