1-(4,4-dimethylpentan-2-yl)-4-nitro-benzene

Systemtic Name: 1-(4,4-dimethylpentan-2-yl)-4-nitro-benzene Openeye Name: 1-nitro-4-(1,3,3-trimethylbutyl)benzene CAS Name: 1-(4,4-dimethylpentan-2-yl)-4-nitrobenzene IUPAC Name: 1-(4,4-dimethylpentan-2-yl)-4-nitrobenzene Traditional Name: 1-nitro-4-(1,3,3-trimethylbutyl)benzene Formula: C13H19NO2 MolecularWeight: 221.29546

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19NO2/c1-10(9-13(2,3)4)11-5-7-12(8-6-11)14(15)16/h5-8,10H,9H2,1-4H3