4-bromanyl-2-[[2,2-dimethoxyethyl(methyl)amino]methyl]-3-methyl-6-nitro-aniline

Systemtic Name: 4-bromanyl-2-[[2,2-dimethoxyethyl(methyl)amino]methyl]-3-methyl-6-nitro-aniline Openeye Name: 4-bromo-2-[[2,2-dimethoxyethyl(methyl)amino]methyl]-3-methyl-6-nitro-aniline CAS Name: 4-bromo-2-[[2,2-dimethoxyethyl(methyl)amino]methyl]-3-methyl-6-nitroaniline IUPAC Name: 4-bromo-2-[[2,2-dimethoxyethyl(methyl)amino]methyl]-3-methyl-6-nitroaniline Traditional Name: (2-amino-5-bromo-6-methyl-3-nitro-benzyl)-(2,2-dimethoxyethyl)-methyl-amine Formula: C13H20BrN3O4 MolecularWeight: 362.2196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1CN(C)CC(OC)OC)N)[N+](=O)[O-])Br

Isomeric SMILES

CC1=C(C=C(C(=C1CN(C)CC(OC)OC)N)[N+](=O)[O-])Br

InChI

InChI=1S/C13H20BrN3O4/c1-8-9(6-16(2)7-12(20-3)21-4)13(15)11(17(18)19)5-10(8)14/h5,12H,6-7,15H2,1-4H3