4-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]-5-methyl-1,2-oxazole-3-carboxylate

Systemtic Name: 4-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]-5-methyl-1,2-oxazole-3-carboxylate Openeye Name: 4-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]-5-methyl-isoxazole-3-carboxylate CAS Name: 4-[(4-bromo-3,5-dimethyl-1-pyrazolyl)methyl]-5-methyl-3-isoxazolecarboxylate IUPAC Name: 4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,2-oxazole-3-carboxylate Traditional Name: 4-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]-5-methyl-isoxazole-3-carboxylate Formula: C11H11BrN3O3- MolecularWeight: 313.12734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=C(ON=C2C(=O)[O-])C)C)Br

Isomeric SMILES

CC1=C(C(=NN1CC2=C(ON=C2C(=O)[O-])C)C)Br

InChI

InChI=1S/C11H12BrN3O3/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)/p-1