1-[3-nitro-4-(1-oxidanidylpyridin-1-ium-2-yl)oxy-phenyl]ethanone

Systemtic Name: 1-[3-nitro-4-(1-oxidanidylpyridin-1-ium-2-yl)oxy-phenyl]ethanone Openeye Name: 1-[3-nitro-4-(1-oxidopyridin-1-ium-2-yl)oxy-phenyl]ethanone CAS Name: 1-[3-nitro-4-[(1-oxido-2-pyridin-1-iumyl)oxy]phenyl]ethanone IUPAC Name: 1-[3-nitro-4-(1-oxidopyridin-1-ium-2-yl)oxyphenyl]ethanone Traditional Name: 1-[3-nitro-4-(1-oxidopyridin-1-ium-2-yl)oxy-phenyl]ethanone Formula: C13H10N2O5 MolecularWeight: 274.2289

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC2=CC=CC=[N+]2[O-])[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC2=CC=CC=[N+]2[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H10N2O5/c1-9(16)10-5-6-12(11(8-10)15(18)19)20-13-4-2-3-7-14(13)17/h2-8H,1H3