[2-[[2-[(4-acetamidophenyl)amino]-2-oxidanylidene-ethyl]-ethyl-amino]-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-2-carboxylate

Systemtic Name: [2-[[2-[(4-acetamidophenyl)amino]-2-oxidanylidene-ethyl]-ethyl-amino]-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-2-carboxylate Openeye Name: [2-[[2-(4-acetamidoanilino)-2-oxo-ethyl]-ethyl-amino]-2-oxo-ethyl] 1-oxidopyridin-1-ium-2-carboxylate CAS Name: 1-oxido-2-pyridin-1-iumcarboxylic acid [2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-2-oxoethyl] 1-oxidopyridin-1-ium-2-carboxylate Traditional Name: 1-oxidopyridin-1-ium-2-carboxylic acid [2-[[2-(4-acetamidoanilino)-2-keto-ethyl]-ethyl-amino]-2-keto-ethyl] ester Formula: C20H22N4O6 MolecularWeight: 414.41188

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(=O)NC1=CC=C(C=C1)NC(=O)C)C(=O)COC(=O)C2=CC=CC=[N+]2[O-]

Isomeric SMILES

CCN(CC(=O)NC1=CC=C(C=C1)NC(=O)C)C(=O)COC(=O)C2=CC=CC=[N+]2[O-]

InChI

InChI=1S/C20H22N4O6/c1-3-23(19(27)13-30-20(28)17-6-4-5-11-24(17)29)12-18(26)22-16-9-7-15(8-10-16)21-14(2)25/h4-11H,3,12-13H2,1-2H3,(H,21,25)(H,22,26)