3,5-bis(iodanyl)-4-[(phenylmethyl)amino]benzoic acid

Systemtic Name: 3,5-bis(iodanyl)-4-[(phenylmethyl)amino]benzoic acid Openeye Name: 4-(benzylamino)-3,5-diiodo-benzoic acid CAS Name: 3,5-diiodo-4-[(phenylmethyl)amino]benzoic acid IUPAC Name: 4-(benzylamino)-3,5-diiodobenzoic acid Traditional Name: 4-(benzylamino)-3,5-diiodo-benzoic acid Formula: C14H11I2NO2 MolecularWeight: 479.05158

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=C(C=C(C=C2I)C(=O)O)I

Isomeric SMILES

C1=CC=C(C=C1)CNC2=C(C=C(C=C2I)C(=O)O)I

InChI

InChI=1S/C14H11I2NO2/c15-11-6-10(14(18)19)7-12(16)13(11)17-8-9-4-2-1-3-5-9/h1-7,17H,8H2,(H,18,19)