3,5-dimethyl-N-(2-methylpropyl)-2-nitro-aniline

Systemtic Name: 3,5-dimethyl-N-(2-methylpropyl)-2-nitro-aniline Openeye Name: N-isobutyl-3,5-dimethyl-2-nitro-aniline CAS Name: 3,5-dimethyl-N-(2-methylpropyl)-2-nitroaniline IUPAC Name: 3,5-dimethyl-N-(2-methylpropyl)-2-nitroaniline Traditional Name: (3,5-dimethyl-2-nitro-phenyl)-isobutyl-amine Formula: C12H18N2O2 MolecularWeight: 222.28352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)NCC(C)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C(=C1)NCC(C)C)[N+](=O)[O-])C

InChI

InChI=1S/C12H18N2O2/c1-8(2)7-13-11-6-9(3)5-10(4)12(11)14(15)16/h5-6,8,13H,7H2,1-4H3