(3-methyl-1-nitro-butan-2-yl)benzene

Systemtic Name: (3-methyl-1-nitro-butan-2-yl)benzene Openeye Name: [2-methyl-1-(nitromethyl)propyl]benzene CAS Name: (3-methyl-1-nitrobutan-2-yl)benzene IUPAC Name: (3-methyl-1-nitrobutan-2-yl)benzene Traditional Name: [2-methyl-1-(nitromethyl)propyl]benzene Formula: C11H15NO2 MolecularWeight: 193.2423

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H15NO2/c1-9(2)11(8-12(13)14)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3