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

Systemtic Name: 5-[[azanyl-[4-(1,3-oxazol-5-yl)phenyl]amino]methyl]-3-iodanyl-2-oxidanyl-benzoic acid Openeye Name: 5-[(N-amino-4-oxazol-5-yl-anilino)methyl]-2-hydroxy-3-iodo-benzoic acid CAS Name: 5-[[N-amino-4-(5-oxazolyl)anilino]methyl]-2-hydroxy-3-iodobenzoic acid IUPAC Name: 5-[[N-amino-4-(1,3-oxazol-5-yl)anilino]methyl]-2-hydroxy-3-iodobenzoic acid Traditional Name: 5-[(N-amino-4-oxazol-5-yl-anilino)methyl]-2-hydroxy-3-iodo-benzoic acid Formula: C17H14IN3O4 MolecularWeight: 451.21523

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CN=CO2)N(CC3=CC(=C(C(=C3)C(=O)O)O)I)N

Isomeric SMILES

C1=CC(=CC=C1C2=CN=CO2)N(CC3=CC(=C(C(=C3)C(=O)O)O)I)N

InChI

InChI=1S/C17H14IN3O4/c18-14-6-10(5-13(16(14)22)17(23)24)8-21(19)12-3-1-11(2-4-12)15-7-20-9-25-15/h1-7,9,22H,8,19H2,(H,23,24)