dimethyl 2-[2-(3-aminocarbonylpyridin-1-ium-1-yl)ethanoylamino]benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-[2-(3-aminocarbonylpyridin-1-ium-1-yl)ethanoylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[[2-(3-carbamoylpyridin-1-ium-1-yl)acetyl]amino]benzene-1,4-dicarboxylate CAS Name: 2-[[2-(3-carbamoyl-1-pyridin-1-iumyl)-1-oxoethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[[2-(3-carbamoylpyridin-1-ium-1-yl)acetyl]amino]benzene-1,4-dicarboxylate Traditional Name: 2-[[2-(3-carbamoylpyridin-1-ium-1-yl)acetyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C18H18N3O6+ MolecularWeight: 372.35202

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)C[N+]2=CC=CC(=C2)C(=O)N

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)C[N+]2=CC=CC(=C2)C(=O)N

InChI

InChI=1S/C18H17N3O6/c1-26-17(24)11-5-6-13(18(25)27-2)14(8-11)20-15(22)10-21-7-3-4-12(9-21)16(19)23/h3-9H,10H2,1-2H3,(H2-,19,20,22,23,25)/p+1