4-[(1-methoxypyridin-1-ium-2-yl)diazenyl]-N,N-dimethyl-3-nitro-aniline; methyl sulfate

Systemtic Name: 4-[(1-methoxypyridin-1-ium-2-yl)diazenyl]-N,N-dimethyl-3-nitro-aniline; methyl sulfate Openeye Name: 4-(1-methoxypyridin-1-ium-2-yl)azo-N,N-dimethyl-3-nitro-aniline; methyl sulfate CAS Name: 4-[(1-methoxy-2-pyridin-1-iumyl)azo]-N,N-dimethyl-3-nitroaniline; methyl sulfate IUPAC Name: 4-[(1-methoxypyridin-1-ium-2-yl)diazenyl]-N,N-dimethyl-3-nitroaniline; methyl sulfate Traditional Name: [4-(1-methoxypyridin-1-ium-2-yl)azo-3-nitro-phenyl]-dimethyl-amine; methyl sulfate Formula: C15H19N5O7S MolecularWeight: 413.40566

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC(=C(C=C1)N=NC2=CC=CC=[N+]2OC)[N+](=O)[O-].COS(=O)(=O)[O-]

Isomeric SMILES

CN(C)C1=CC(=C(C=C1)N=NC2=CC=CC=[N+]2OC)[N+](=O)[O-].COS(=O)(=O)[O-]

InChI

InChI=1S/C14H16N5O3.CH4O4S/c1-17(2)11-7-8-12(13(10-11)19(20)21)15-16-14-6-4-5-9-18(14)22-3;1-5-6(2,3)4/h4-10H,1-3H3;1H3,(H,2,3,4)/q+1;/p-1