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

Systemtic Name: 5-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]furan-2-carboxylate Openeye Name: 5-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]furan-2-carboxylate CAS Name: 5-[(4-bromo-3,5-dimethyl-1-pyrazolyl)methyl]-2-furancarboxylate IUPAC Name: 5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxylate Traditional Name: 5-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]-2-furoate Formula: C11H10BrN2O3- MolecularWeight: 298.1127

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(O2)C(=O)[O-])C)Br

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(O2)C(=O)[O-])C)Br

InChI

InChI=1S/C11H11BrN2O3/c1-6-10(12)7(2)14(13-6)5-8-3-4-9(17-8)11(15)16/h3-4H,5H2,1-2H3,(H,15,16)/p-1