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

Systemtic Name: 5-iodanyl-2-[[5-(3-methoxy-4-oxidanyl-phenyl)-4,5-dihydro-1,2-oxazol-3-yl]amino]benzoic acid Openeye Name: 2-[[5-(4-hydroxy-3-methoxy-phenyl)-4,5-dihydroisoxazol-3-yl]amino]-5-iodo-benzoic acid CAS Name: 2-[[5-(4-hydroxy-3-methoxyphenyl)-4,5-dihydroisoxazol-3-yl]amino]-5-iodobenzoic acid IUPAC Name: 2-[[5-(4-hydroxy-3-methoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]amino]-5-iodobenzoic acid Traditional Name: 2-[[5-(4-hydroxy-3-methoxy-phenyl)-2-isoxazolin-3-yl]amino]-5-iodo-benzoic acid Formula: C17H15IN2O5 MolecularWeight: 454.21587

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2CC(=NO2)NC3=C(C=C(C=C3)I)C(=O)O)O

Isomeric SMILES

COC1=C(C=CC(=C1)C2CC(=NO2)NC3=C(C=C(C=C3)I)C(=O)O)O

InChI

InChI=1S/C17H15IN2O5/c1-24-15-6-9(2-5-13(15)21)14-8-16(20-25-14)19-12-4-3-10(18)7-11(12)17(22)23/h2-7,14,21H,8H2,1H3,(H,19,20)(H,22,23)