2-nitrooctan-2-ylbenzene

Systemtic Name: 2-nitrooctan-2-ylbenzene Openeye Name: (1-methyl-1-nitro-heptyl)benzene CAS Name: 2-nitrooctan-2-ylbenzene IUPAC Name: 2-nitrooctan-2-ylbenzene Traditional Name: (1-methyl-1-nitro-heptyl)benzene Formula: C14H21NO2 MolecularWeight: 235.32204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21NO2/c1-3-4-5-9-12-14(2,15(16)17)13-10-7-6-8-11-13/h6-8,10-11H,3-5,9,12H2,1-2H3