5-(4-methylsulfonylphenoxy)-2-nitro-3-(1-oxidanidylpyridin-1-ium-3-yl)oxy-aniline

Systemtic Name: 5-(4-methylsulfonylphenoxy)-2-nitro-3-(1-oxidanidylpyridin-1-ium-3-yl)oxy-aniline Openeye Name: 5-(4-methylsulfonylphenoxy)-2-nitro-3-(1-oxidopyridin-1-ium-3-yl)oxy-aniline CAS Name: 5-(4-methylsulfonylphenoxy)-2-nitro-3-[(1-oxido-3-pyridin-1-iumyl)oxy]aniline IUPAC Name: 5-(4-methylsulfonylphenoxy)-2-nitro-3-(1-oxidopyridin-1-ium-3-yl)oxyaniline Traditional Name: [5-(4-mesylphenoxy)-2-nitro-3-(1-oxidopyridin-1-ium-3-yl)oxy-phenyl]amine Formula: C18H15N3O7S MolecularWeight: 417.3926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)OC2=CC(=C(C(=C2)N)[N+](=O)[O-])OC3=C[N+](=CC=C3)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)OC2=CC(=C(C(=C2)N)[N+](=O)[O-])OC3=C[N+](=CC=C3)[O-]

InChI

InChI=1S/C18H15N3O7S/c1-29(25,26)15-6-4-12(5-7-15)27-14-9-16(19)18(21(23)24)17(10-14)28-13-3-2-8-20(22)11-13/h2-11H,19H2,1H3