1-[(3-iodanylphenyl)amino]isoquinoline-3-carboxylic acid

Systemtic Name: 1-[(3-iodanylphenyl)amino]isoquinoline-3-carboxylic acid Openeye Name: 1-(3-iodoanilino)isoquinoline-3-carboxylic acid CAS Name: 1-(3-iodoanilino)-3-isoquinolinecarboxylic acid IUPAC Name: 1-(3-iodoanilino)isoquinoline-3-carboxylic acid Traditional Name: 1-(3-iodoanilino)isoquinoline-3-carboxylic acid Formula: C16H11IN2O2 MolecularWeight: 390.17521

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(N=C2NC3=CC(=CC=C3)I)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=C(N=C2NC3=CC(=CC=C3)I)C(=O)O

InChI

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