4-bromanyl-2-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)carbonyl-phenolate

Systemtic Name: 4-bromanyl-2-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)carbonyl-phenolate Openeye Name: 4-bromo-2-(4-chloro-3,5-dimethyl-pyrazole-1-carbonyl)phenolate CAS Name: 4-bromo-2-[(4-chloro-3,5-dimethyl-1-pyrazolyl)-oxomethyl]phenolate IUPAC Name: 4-bromo-2-(4-chloro-3,5-dimethylpyrazole-1-carbonyl)phenolate Traditional Name: 4-bromo-2-(4-chloro-3,5-dimethyl-pyrazole-1-carbonyl)phenolate Formula: C12H9BrClN2O2- MolecularWeight: 328.56906

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(=O)C2=C(C=CC(=C2)Br)[O-])C)Cl

Isomeric SMILES

CC1=C(C(=NN1C(=O)C2=C(C=CC(=C2)Br)[O-])C)Cl

InChI

InChI=1S/C12H10BrClN2O2/c1-6-11(14)7(2)16(15-6)12(18)9-5-8(13)3-4-10(9)17/h3-5,17H,1-2H3/p-1