[2-[(4-iodophenyl)amino]-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-3-carboxylate

Systemtic Name: [2-[(4-iodophenyl)amino]-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-3-carboxylate Openeye Name: [2-(4-iodoanilino)-2-oxo-ethyl] 1-oxidopyridin-1-ium-3-carboxylate CAS Name: 1-oxido-3-pyridin-1-iumcarboxylic acid [2-(4-iodoanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-iodoanilino)-2-oxoethyl] 1-oxidopyridin-1-ium-3-carboxylate Traditional Name: 1-oxidopyridin-1-ium-3-carboxylic acid [2-(4-iodoanilino)-2-keto-ethyl] ester Formula: C14H11IN2O4 MolecularWeight: 398.15261

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C[N+](=C1)[O-])C(=O)OCC(=O)NC2=CC=C(C=C2)I

Isomeric SMILES

C1=CC(=C[N+](=C1)[O-])C(=O)OCC(=O)NC2=CC=C(C=C2)I

InChI

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