2-[4-(2-azanylethyl)-3-nitro-phenyl]ethanamine; sulfuric acid

Systemtic Name: 2-[4-(2-azanylethyl)-3-nitro-phenyl]ethanamine; sulfuric acid Openeye Name: 2-[4-(2-aminoethyl)-3-nitro-phenyl]ethanamine; sulfuric acid CAS Name: 2-[4-(2-aminoethyl)-3-nitrophenyl]ethanamine; sulfuric acid IUPAC Name: 2-[4-(2-aminoethyl)-3-nitrophenyl]ethanamine; sulfuric acid Traditional Name: 2-[4-(2-aminoethyl)-2-nitro-phenyl]ethylamine; sulfuric acid Formula: C10H19N3O10S2 MolecularWeight: 405.40196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CCN)[N+](=O)[O-])CCN.OS(=O)(=O)O.OS(=O)(=O)O

Isomeric SMILES

C1=CC(=C(C=C1CCN)[N+](=O)[O-])CCN.OS(=O)(=O)O.OS(=O)(=O)O

InChI

InChI=1S/C10H15N3O2.2H2O4S/c11-5-3-8-1-2-9(4-6-12)10(7-8)13(14)15;2*1-5(2,3)4/h1-2,7H,3-6,11-12H2;2*(H2,1,2,3,4)