1-(3,4-dimethyl-5-nitro-phenyl)-3-methyl-butan-1-amine

Systemtic Name: 1-(3,4-dimethyl-5-nitro-phenyl)-3-methyl-butan-1-amine Openeye Name: 1-(3,4-dimethyl-5-nitro-phenyl)-3-methyl-butan-1-amine CAS Name: 1-(3,4-dimethyl-5-nitrophenyl)-3-methyl-1-butanamine IUPAC Name: 1-(3,4-dimethyl-5-nitrophenyl)-3-methylbutan-1-amine Traditional Name: [1-(3,4-dimethyl-5-nitro-phenyl)-3-methyl-butyl]amine Formula: C13H20N2O2 MolecularWeight: 236.3101

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20N2O2/c1-8(2)5-12(14)11-6-9(3)10(4)13(7-11)15(16)17/h6-8,12H,5,14H2,1-4H3