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

Systemtic Name: 3-bromanyl-N-(2-bromoethyl)-N-methyl-propan-1-amine; 2,4,6-trinitrophenol Openeye Name: 3-bromo-N-(2-bromoethyl)-N-methyl-propan-1-amine; picric acid CAS Name: 3-bromo-N-(2-bromoethyl)-N-methyl-1-propanamine; 2,4,6-trinitrophenol IUPAC Name: 3-bromo-N-(2-bromoethyl)-N-methylpropan-1-amine; 2,4,6-trinitrophenol Traditional Name: 2-bromoethyl-(3-bromopropyl)-methyl-amine; picric acid Formula: C12H16Br2N4O7 MolecularWeight: 488.08604

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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