[2-[(3-iodanylphenyl)amino]-2-oxidanylidene-ethyl] pyridine-4-carboxylate

Systemtic Name: [2-[(3-iodanylphenyl)amino]-2-oxidanylidene-ethyl] pyridine-4-carboxylate Openeye Name: [2-(3-iodoanilino)-2-oxo-ethyl] pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid [2-(3-iodoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-iodoanilino)-2-oxoethyl] pyridine-4-carboxylate Traditional Name: isonicotinic acid [2-(3-iodoanilino)-2-keto-ethyl] ester Formula: C14H11IN2O3 MolecularWeight: 382.15321

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)I)NC(=O)COC(=O)C2=CC=NC=C2

Isomeric SMILES

C1=CC(=CC(=C1)I)NC(=O)COC(=O)C2=CC=NC=C2

InChI

InChI=1S/C14H11IN2O3/c15-11-2-1-3-12(8-11)17-13(18)9-20-14(19)10-4-6-16-7-5-10/h1-8H,9H2,(H,17,18)