5-iodanyl-2-[(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)amino]benzoic acid

Systemtic Name: 5-iodanyl-2-[(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)amino]benzoic acid Openeye Name: 5-iodo-2-[(5-phenyl-4,5-dihydroisoxazol-3-yl)amino]benzoic acid CAS Name: 5-iodo-2-[(5-phenyl-4,5-dihydroisoxazol-3-yl)amino]benzoic acid IUPAC Name: 5-iodo-2-[(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)amino]benzoic acid Traditional Name: 5-iodo-2-[(5-phenyl-2-isoxazolin-3-yl)amino]benzoic acid Formula: C16H13IN2O3 MolecularWeight: 408.19049

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Descriptors Computed from Structure

Canonical SMILES:

C1C(ON=C1NC2=C(C=C(C=C2)I)C(=O)O)C3=CC=CC=C3

Isomeric SMILES

C1C(ON=C1NC2=C(C=C(C=C2)I)C(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C16H13IN2O3/c17-11-6-7-13(12(8-11)16(20)21)18-15-9-14(22-19-15)10-4-2-1-3-5-10/h1-8,14H,9H2,(H,18,19)(H,20,21)