4-[(4-iodanyl-3,5-dimethyl-pyrazol-1-yl)methyl]-5-methyl-1,2-oxazole-3-carboxylic acid

Systemtic Name: 4-[(4-iodanyl-3,5-dimethyl-pyrazol-1-yl)methyl]-5-methyl-1,2-oxazole-3-carboxylic acid Openeye Name: 4-[(4-iodo-3,5-dimethyl-pyrazol-1-yl)methyl]-5-methyl-isoxazole-3-carboxylic acid CAS Name: 4-[(4-iodo-3,5-dimethyl-1-pyrazolyl)methyl]-5-methyl-3-isoxazolecarboxylic acid IUPAC Name: 4-[(4-iodo-3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,2-oxazole-3-carboxylic acid Traditional Name: 4-[(4-iodo-3,5-dimethyl-pyrazol-1-yl)methyl]-5-methyl-isoxazole-3-carboxylic acid Formula: C11H12IN3O3 MolecularWeight: 361.13575

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=C(ON=C2C(=O)O)C)C)I

Isomeric SMILES

CC1=C(C(=NN1CC2=C(ON=C2C(=O)O)C)C)I

InChI

InChI=1S/C11H12IN3O3/c1-5-9(12)6(2)15(13-5)4-8-7(3)18-14-10(8)11(16)17/h4H2,1-3H3,(H,16,17)