3-methyl-1-(4-nitrophenyl)-3-oxidanyl-pentane-1,4-dione

Systemtic Name: 3-methyl-1-(4-nitrophenyl)-3-oxidanyl-pentane-1,4-dione Openeye Name: 3-hydroxy-3-methyl-1-(4-nitrophenyl)pentane-1,4-dione CAS Name: 3-hydroxy-3-methyl-1-(4-nitrophenyl)pentane-1,4-dione IUPAC Name: 3-hydroxy-3-methyl-1-(4-nitrophenyl)pentane-1,4-dione Traditional Name: 3-hydroxy-3-methyl-1-(4-nitrophenyl)pentane-1,4-dione Formula: C12H13NO5 MolecularWeight: 251.23532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO5/c1-8(14)12(2,16)7-11(15)9-3-5-10(6-4-9)13(17)18/h3-6,16H,7H2,1-2H3