dimethyl 2-[2-(1-oxidanidylpyridin-1-ium-4-yl)carbonyloxyethanoylamino]benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-[2-(1-oxidanidylpyridin-1-ium-4-yl)carbonyloxyethanoylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[[2-(1-oxidopyridin-1-ium-4-carbonyl)oxyacetyl]amino]benzene-1,4-dicarboxylate CAS Name: 2-[[2-[(1-oxido-4-pyridin-1-iumyl)-oxomethoxy]-1-oxoethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[[2-(1-oxidopyridin-1-ium-4-carbonyl)oxyacetyl]amino]benzene-1,4-dicarboxylate Traditional Name: 2-[[2-(1-oxidopyridin-1-ium-4-carbonyl)oxyacetyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C18H16N2O8 MolecularWeight: 388.32824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)COC(=O)C2=CC=[N+](C=C2)[O-]

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)COC(=O)C2=CC=[N+](C=C2)[O-]

InChI

InChI=1S/C18H16N2O8/c1-26-16(22)12-3-4-13(18(24)27-2)14(9-12)19-15(21)10-28-17(23)11-5-7-20(25)8-6-11/h3-9H,10H2,1-2H3,(H,19,21)