6-[4-[[4-bromanyl-3-(trifluoromethyl)phenyl]carbamoyl]-5-methyl-pyrazol-1-yl]pyridazin-3-olate

Systemtic Name: 6-[4-[[4-bromanyl-3-(trifluoromethyl)phenyl]carbamoyl]-5-methyl-pyrazol-1-yl]pyridazin-3-olate Openeye Name: 6-[4-[[4-bromo-3-(trifluoromethyl)phenyl]carbamoyl]-5-methyl-pyrazol-1-yl]pyridazin-3-olate CAS Name: 6-[4-[[4-bromo-3-(trifluoromethyl)anilino]-oxomethyl]-5-methyl-1-pyrazolyl]-3-pyridazinolate IUPAC Name: 6-[4-[[4-bromo-3-(trifluoromethyl)phenyl]carbamoyl]-5-methylpyrazol-1-yl]pyridazin-3-olate Traditional Name: 6-[4-[[4-bromo-3-(trifluoromethyl)phenyl]carbamoyl]-5-methyl-pyrazol-1-yl]pyridazin-3-olate Formula: C16H10BrF3N5O2- MolecularWeight: 441.18211

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=NN=C(C=C2)[O-])C(=O)NC3=CC(=C(C=C3)Br)C(F)(F)F

Isomeric SMILES

CC1=C(C=NN1C2=NN=C(C=C2)[O-])C(=O)NC3=CC(=C(C=C3)Br)C(F)(F)F

InChI

InChI=1S/C16H11BrF3N5O2/c1-8-10(7-21-25(8)13-4-5-14(26)24-23-13)15(27)22-9-2-3-12(17)11(6-9)16(18,19)20/h2-7H,1H3,(H,22,27)(H,24,26)/p-1