(3E)-3-[(4-chloranyl-2-nitro-phenyl)-oxidanyl-methylidene]-5,5-dimethyl-hexane-2,4-dione

Systemtic Name: (3E)-3-[(4-chloranyl-2-nitro-phenyl)-oxidanyl-methylidene]-5,5-dimethyl-hexane-2,4-dione Openeye Name: (3E)-3-[(4-chloro-2-nitro-phenyl)-hydroxy-methylene]-5,5-dimethyl-hexane-2,4-dione CAS Name: (3E)-3-[(4-chloro-2-nitrophenyl)-hydroxymethylidene]-5,5-dimethylhexane-2,4-dione IUPAC Name: (3E)-3-[(4-chloro-2-nitrophenyl)-hydroxymethylidene]-5,5-dimethylhexane-2,4-dione Traditional Name: (3E)-3-[(4-chloro-2-nitro-phenyl)-hydroxy-methylene]-5,5-dimethyl-hexane-2,4-dione Formula: C15H16ClNO5 MolecularWeight: 325.74424

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(=O)/C(=C(/C1=C(C=C(C=C1)Cl)[N+](=O)[O-])\O)/C(=O)C(C)(C)C

InChI

InChI=1S/C15H16ClNO5/c1-8(18)12(14(20)15(2,3)4)13(19)10-6-5-9(16)7-11(10)17(21)22/h5-7,19H,1-4H3/b13-12+