2-[(4-iodophenyl)amino]quinoline-4-carboxylic acid

Systemtic Name: 2-[(4-iodophenyl)amino]quinoline-4-carboxylic acid Openeye Name: 2-(4-iodoanilino)quinoline-4-carboxylic acid CAS Name: 2-(4-iodoanilino)-4-quinolinecarboxylic acid IUPAC Name: 2-(4-iodoanilino)quinoline-4-carboxylic acid Traditional Name: 2-(4-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=C(C=C3)I)C(=O)O

Isomeric SMILES

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

InChI

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