2-azanyl-6-(2-azanylpropylamino)-3-nitro-benzenesulfonic acid

Systemtic Name: 2-azanyl-6-(2-azanylpropylamino)-3-nitro-benzenesulfonic acid Openeye Name: 2-amino-6-(2-aminopropylamino)-3-nitro-benzenesulfonic acid CAS Name: 2-amino-6-(2-aminopropylamino)-3-nitrobenzenesulfonic acid IUPAC Name: 2-amino-6-(2-aminopropylamino)-3-nitrobenzenesulfonic acid Traditional Name: 2-amino-6-(2-aminopropylamino)-3-nitro-besylic acid Formula: C9H14N4O5S MolecularWeight: 290.29626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CNC1=C(C(=C(C=C1)[N+](=O)[O-])N)S(=O)(=O)O)N

Isomeric SMILES

CC(CNC1=C(C(=C(C=C1)[N+](=O)[O-])N)S(=O)(=O)O)N

InChI

InChI=1S/C9H14N4O5S/c1-5(10)4-12-6-2-3-7(13(14)15)8(11)9(6)19(16,17)18/h2-3,5,12H,4,10-11H2,1H3,(H,16,17,18)