5-(2-bromanylphenoxy)-1,3-dimethyl-pyrazole-4-carboxylate

Systemtic Name: 5-(2-bromanylphenoxy)-1,3-dimethyl-pyrazole-4-carboxylate Openeye Name: 5-(2-bromophenoxy)-1,3-dimethyl-pyrazole-4-carboxylate CAS Name: 5-(2-bromophenoxy)-1,3-dimethyl-4-pyrazolecarboxylate IUPAC Name: 5-(2-bromophenoxy)-1,3-dimethylpyrazole-4-carboxylate Traditional Name: 5-(2-bromophenoxy)-1,3-dimethyl-pyrazole-4-carboxylate Formula: C12H10BrN2O3- MolecularWeight: 310.1234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)[O-])OC2=CC=CC=C2Br)C

Isomeric SMILES

CC1=NN(C(=C1C(=O)[O-])OC2=CC=CC=C2Br)C

InChI

InChI=1S/C12H11BrN2O3/c1-7-10(12(16)17)11(15(2)14-7)18-9-6-4-3-5-8(9)13/h3-6H,1-2H3,(H,16,17)/p-1