2-butyl-1-nitro-4-propan-2-yl-benzene

Systemtic Name: 2-butyl-1-nitro-4-propan-2-yl-benzene Openeye Name: 2-butyl-4-isopropyl-1-nitro-benzene CAS Name: 2-butyl-1-nitro-4-propan-2-ylbenzene IUPAC Name: 2-butyl-1-nitro-4-propan-2-ylbenzene Traditional Name: 2-butyl-4-isopropyl-1-nitro-benzene Formula: C13H19NO2 MolecularWeight: 221.29546

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=CC(=C1)C(C)C)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=C(C=CC(=C1)C(C)C)[N+](=O)[O-]

InChI

InChI=1S/C13H19NO2/c1-4-5-6-12-9-11(10(2)3)7-8-13(12)14(15)16/h7-10H,4-6H2,1-3H3