4-bromanyl-2-(3,4,5-trimethylpyrazol-1-yl)carbonyl-phenolate

Systemtic Name: 4-bromanyl-2-(3,4,5-trimethylpyrazol-1-yl)carbonyl-phenolate Openeye Name: 4-bromo-2-(3,4,5-trimethylpyrazole-1-carbonyl)phenolate CAS Name: 4-bromo-2-[oxo-(3,4,5-trimethyl-1-pyrazolyl)methyl]phenolate IUPAC Name: 4-bromo-2-(3,4,5-trimethylpyrazole-1-carbonyl)phenolate Traditional Name: 4-bromo-2-(3,4,5-trimethylpyrazole-1-carbonyl)phenolate Formula: C13H12BrN2O2- MolecularWeight: 308.15058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(N=C1C)C(=O)C2=C(C=CC(=C2)Br)[O-])C

Isomeric SMILES

CC1=C(N(N=C1C)C(=O)C2=C(C=CC(=C2)Br)[O-])C

InChI

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