2-butyl-1-nitro-4-propan-2-yl-benzene; 1-tert-butyl-3-nitro-2-propyl-benzene

Systemtic Name: 2-butyl-1-nitro-4-propan-2-yl-benzene; 1-tert-butyl-3-nitro-2-propyl-benzene Openeye Name: 2-butyl-4-isopropyl-1-nitro-benzene; 1-tert-butyl-3-nitro-2-propyl-benzene CAS Name: 2-butyl-1-nitro-4-propan-2-ylbenzene; 1-tert-butyl-3-nitro-2-propylbenzene IUPAC Name: 2-butyl-1-nitro-4-propan-2-ylbenzene; 1-tert-butyl-3-nitro-2-propylbenzene Traditional Name: 2-butyl-4-isopropyl-1-nitro-benzene; 1-tert-butyl-3-nitro-2-propyl-benzene Formula: C26H38N2O4 MolecularWeight: 442.59092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=CC(=C1)C(C)C)[N+](=O)[O-].CCCC1=C(C=CC=C1[N+](=O)[O-])C(C)(C)C

Isomeric SMILES

CCCCC1=C(C=CC(=C1)C(C)C)[N+](=O)[O-].CCCC1=C(C=CC=C1[N+](=O)[O-])C(C)(C)C

InChI

InChI=1S/2C13H19NO2/c1-5-7-10-11(13(2,3)4)8-6-9-12(10)14(15)16;1-4-5-6-12-9-11(10(2)3)7-8-13(12)14(15)16/h6,8-9H,5,7H2,1-4H3;7-10H,4-6H2,1-3H3