N3-methyl-N3-(3-methylbut-2-enyl)-4-nitro-benzene-1,3-diamine

Systemtic Name: N3-methyl-N3-(3-methylbut-2-enyl)-4-nitro-benzene-1,3-diamine Openeye Name: N3-methyl-N3-(3-methylbut-2-enyl)-4-nitro-benzene-1,3-diamine CAS Name: N3-methyl-N3-(3-methylbut-2-enyl)-4-nitrobenzene-1,3-diamine IUPAC Name: 3-N-methyl-3-N-(3-methylbut-2-enyl)-4-nitrobenzene-1,3-diamine Traditional Name: (5-amino-2-nitro-phenyl)-methyl-(3-methylbut-2-enyl)amine Formula: C12H17N3O2 MolecularWeight: 235.28228

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17N3O2/c1-9(2)6-7-14(3)12-8-10(13)4-5-11(12)15(16)17/h4-6,8H,7,13H2,1-3H3