ethyl 4-(hydroxymethyl)-5-(3-iodanylphenyl)-1,2-oxazole-3-carboxylate

Systemtic Name: ethyl 4-(hydroxymethyl)-5-(3-iodanylphenyl)-1,2-oxazole-3-carboxylate Openeye Name: ethyl 4-(hydroxymethyl)-5-(3-iodophenyl)isoxazole-3-carboxylate CAS Name: 4-(hydroxymethyl)-5-(3-iodophenyl)-3-isoxazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(hydroxymethyl)-5-(3-iodophenyl)-1,2-oxazole-3-carboxylate Traditional Name: 5-(3-iodophenyl)-4-methylol-isoxazole-3-carboxylic acid ethyl ester Formula: C13H12INO4 MolecularWeight: 373.14315

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NOC(=C1CO)C2=CC(=CC=C2)I

Isomeric SMILES

CCOC(=O)C1=NOC(=C1CO)C2=CC(=CC=C2)I

InChI

InChI=1S/C13H12INO4/c1-2-18-13(17)11-10(7-16)12(19-15-11)8-4-3-5-9(14)6-8/h3-6,16H,2,7H2,1H3