3,3-dimethyl-1-(4-nitrophenyl)butan-2-one

Systemtic Name: 3,3-dimethyl-1-(4-nitrophenyl)butan-2-one Openeye Name: 3,3-dimethyl-1-(4-nitrophenyl)butan-2-one CAS Name: 3,3-dimethyl-1-(4-nitrophenyl)-2-butanone IUPAC Name: 3,3-dimethyl-1-(4-nitrophenyl)butan-2-one Traditional Name: 3,3-dimethyl-1-(4-nitrophenyl)butan-2-one Formula: C12H15NO3 MolecularWeight: 221.2524

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C(=O)CC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C12H15NO3/c1-12(2,3)11(14)8-9-4-6-10(7-5-9)13(15)16/h4-7H,8H2,1-3H3