dimethyl 5-[2-(1-oxidanidylpyridin-1-ium-4-yl)carbonyloxyethanoylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[2-(1-oxidanidylpyridin-1-ium-4-yl)carbonyloxyethanoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[2-(1-oxidopyridin-1-ium-4-carbonyl)oxyacetyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[2-[(1-oxido-4-pyridin-1-iumyl)-oxomethoxy]-1-oxoethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2-(1-oxidopyridin-1-ium-4-carbonyl)oxyacetyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-(1-oxidopyridin-1-ium-4-carbonyl)oxyacetyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C18H16N2O8 MolecularWeight: 388.32824

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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