4,4-dimethyl-1-(4-nitrophenyl)-1-oxidanyl-pentan-3-one

Systemtic Name: 4,4-dimethyl-1-(4-nitrophenyl)-1-oxidanyl-pentan-3-one Openeye Name: 1-hydroxy-4,4-dimethyl-1-(4-nitrophenyl)pentan-3-one CAS Name: 1-hydroxy-4,4-dimethyl-1-(4-nitrophenyl)-3-pentanone IUPAC Name: 1-hydroxy-4,4-dimethyl-1-(4-nitrophenyl)pentan-3-one Traditional Name: 1-hydroxy-4,4-dimethyl-1-(4-nitrophenyl)pentan-3-one Formula: C13H17NO4 MolecularWeight: 251.27838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO4/c1-13(2,3)12(16)8-11(15)9-4-6-10(7-5-9)14(17)18/h4-7,11,15H,8H2,1-3H3