3,3-dimethyl-1-(3-nitro-4-oxidanyl-phenyl)butan-1-one

Systemtic Name: 3,3-dimethyl-1-(3-nitro-4-oxidanyl-phenyl)butan-1-one Openeye Name: 1-(4-hydroxy-3-nitro-phenyl)-3,3-dimethyl-butan-1-one CAS Name: 1-(4-hydroxy-3-nitrophenyl)-3,3-dimethyl-1-butanone IUPAC Name: 1-(4-hydroxy-3-nitrophenyl)-3,3-dimethylbutan-1-one Traditional Name: 1-(4-hydroxy-3-nitro-phenyl)-3,3-dimethyl-butan-1-one Formula: C12H15NO4 MolecularWeight: 237.2518

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15NO4/c1-12(2,3)7-11(15)8-4-5-10(14)9(6-8)13(16)17/h4-6,14H,7H2,1-3H3