2,2,3-trimethyl-3-nitro-1-phenyl-butan-1-one

Systemtic Name: 2,2,3-trimethyl-3-nitro-1-phenyl-butan-1-one Openeye Name: 2,2,3-trimethyl-3-nitro-1-phenyl-butan-1-one CAS Name: 2,2,3-trimethyl-3-nitro-1-phenyl-1-butanone IUPAC Name: 2,2,3-trimethyl-3-nitro-1-phenylbutan-1-one Traditional Name: 2,2,3-trimethyl-3-nitro-1-phenyl-butan-1-one Formula: C13H17NO3 MolecularWeight: 235.27898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO3/c1-12(2,13(3,4)14(16)17)11(15)10-8-6-5-7-9-10/h5-9H,1-4H3