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

Systemtic Name: [2-[(2-iodanylphenyl)amino]-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-2-carboxylate Openeye Name: [2-(2-iodoanilino)-2-oxo-ethyl] 1-oxidopyridin-1-ium-2-carboxylate CAS Name: 1-oxido-2-pyridin-1-iumcarboxylic acid [2-(2-iodoanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-iodoanilino)-2-oxoethyl] 1-oxidopyridin-1-ium-2-carboxylate Traditional Name: 1-oxidopyridin-1-ium-2-carboxylic acid [2-(2-iodoanilino)-2-keto-ethyl] ester Formula: C14H11IN2O4 MolecularWeight: 398.15261

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11IN2O4/c15-10-5-1-2-6-11(10)16-13(18)9-21-14(19)12-7-3-4-8-17(12)20/h1-8H,9H2,(H,16,18)