2-[(3-iodanylphenyl)amino]quinoline-4-carboxylic acid

Systemtic Name: 2-[(3-iodanylphenyl)amino]quinoline-4-carboxylic acid Openeye Name: 2-(3-iodoanilino)quinoline-4-carboxylic acid CAS Name: 2-(3-iodoanilino)-4-quinolinecarboxylic acid IUPAC Name: 2-(3-iodoanilino)quinoline-4-carboxylic acid Traditional Name: 2-(3-iodoanilino)cinchoninic acid Formula: C16H11IN2O2 MolecularWeight: 390.17521

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)NC3=CC(=CC=C3)I)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)NC3=CC(=CC=C3)I)C(=O)O

InChI

InChI=1S/C16H11IN2O2/c17-10-4-3-5-11(8-10)18-15-9-13(16(20)21)12-6-1-2-7-14(12)19-15/h1-9H,(H,18,19)(H,20,21)