[2-[(3-iodanylphenyl)amino]-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-3-carboxylate

Systemtic Name: [2-[(3-iodanylphenyl)amino]-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-3-carboxylate Openeye Name: [2-(3-iodoanilino)-2-oxo-ethyl] 1-oxidopyridin-1-ium-3-carboxylate CAS Name: 1-oxido-3-pyridin-1-iumcarboxylic acid [2-(3-iodoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-iodoanilino)-2-oxoethyl] 1-oxidopyridin-1-ium-3-carboxylate Traditional Name: 1-oxidopyridin-1-ium-3-carboxylic acid [2-(3-iodoanilino)-2-keto-ethyl] ester Formula: C14H11IN2O4 MolecularWeight: 398.15261

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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