1-(3-tert-butyl-5-nitro-4-oxidanyl-phenyl)ethanone

Systemtic Name: 1-(3-tert-butyl-5-nitro-4-oxidanyl-phenyl)ethanone Openeye Name: 1-(3-tert-butyl-4-hydroxy-5-nitro-phenyl)ethanone CAS Name: 1-(3-tert-butyl-4-hydroxy-5-nitrophenyl)ethanone IUPAC Name: 1-(3-tert-butyl-4-hydroxy-5-nitrophenyl)ethanone Traditional Name: 1-(3-tert-butyl-4-hydroxy-5-nitro-phenyl)ethanone Formula: C12H15NO4 MolecularWeight: 237.2518

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15NO4/c1-7(14)8-5-9(12(2,3)4)11(15)10(6-8)13(16)17/h5-6,15H,1-4H3