3-bromanyl-N-(2-bromoethyl)-N-methyl-propan-1-amine; 2,4,6-trinitrophenolate

Systemtic Name: 3-bromanyl-N-(2-bromoethyl)-N-methyl-propan-1-amine; 2,4,6-trinitrophenolate Openeye Name: 3-bromo-N-(2-bromoethyl)-N-methyl-propan-1-amine; 2,4,6-trinitrophenolate CAS Name: 3-bromo-N-(2-bromoethyl)-N-methyl-1-propanamine; 2,4,6-trinitrophenolate IUPAC Name: 3-bromo-N-(2-bromoethyl)-N-methylpropan-1-amine; 2,4,6-trinitrophenolate Traditional Name: 2-bromoethyl-(3-bromopropyl)-methyl-amine picrate Formula: C12H15Br2N4O7- MolecularWeight: 487.0781

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CCCBr)CCBr.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CN(CCCBr)CCBr.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C6H13Br2N.C6H3N3O7/c1-9(6-4-8)5-2-3-7;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h2-6H2,1H3;1-2,10H/p-1