1-(4-bromanyl-2-methyl-phenyl)-3,5-dimethyl-pyrazole-4-carboxylate

Systemtic Name: 1-(4-bromanyl-2-methyl-phenyl)-3,5-dimethyl-pyrazole-4-carboxylate Openeye Name: 1-(4-bromo-2-methyl-phenyl)-3,5-dimethyl-pyrazole-4-carboxylate CAS Name: 1-(4-bromo-2-methylphenyl)-3,5-dimethyl-4-pyrazolecarboxylate IUPAC Name: 1-(4-bromo-2-methylphenyl)-3,5-dimethylpyrazole-4-carboxylate Traditional Name: 1-(4-bromo-2-methyl-phenyl)-3,5-dimethyl-pyrazole-4-carboxylate Formula: C13H12BrN2O2- MolecularWeight: 308.15058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)N2C(=C(C(=N2)C)C(=O)[O-])C

Isomeric SMILES

CC1=C(C=CC(=C1)Br)N2C(=C(C(=N2)C)C(=O)[O-])C

InChI

InChI=1S/C13H13BrN2O2/c1-7-6-10(14)4-5-11(7)16-9(3)12(13(17)18)8(2)15-16/h4-6H,1-3H3,(H,17,18)/p-1