5-[(4-azanyl-2-nitro-phenyl)amino]-2-(dimethylamino)benzenesulfonic acid

Systemtic Name: 5-[(4-azanyl-2-nitro-phenyl)amino]-2-(dimethylamino)benzenesulfonic acid Openeye Name: 5-(4-amino-2-nitro-anilino)-2-(dimethylamino)benzenesulfonic acid CAS Name: 5-(4-amino-2-nitroanilino)-2-(dimethylamino)benzenesulfonic acid IUPAC Name: 5-(4-amino-2-nitroanilino)-2-(dimethylamino)benzenesulfonic acid Traditional Name: 5-(4-amino-2-nitro-anilino)-2-(dimethylamino)besylic acid Formula: C14H16N4O5S MolecularWeight: 352.36564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1)NC2=C(C=C(C=C2)N)[N+](=O)[O-])S(=O)(=O)O

Isomeric SMILES

CN(C)C1=C(C=C(C=C1)NC2=C(C=C(C=C2)N)[N+](=O)[O-])S(=O)(=O)O

InChI

InChI=1S/C14H16N4O5S/c1-17(2)12-6-4-10(8-14(12)24(21,22)23)16-11-5-3-9(15)7-13(11)18(19)20/h3-8,16H,15H2,1-2H3,(H,21,22,23)