4-[(E)-N-[(3-bromophenyl)carbonylamino]-C-(trifluoromethyl)carbonimidoyl]-5-methyl-2-phenyl-pyrazol-3-olate

Systemtic Name: 4-[(E)-N-[(3-bromophenyl)carbonylamino]-C-(trifluoromethyl)carbonimidoyl]-5-methyl-2-phenyl-pyrazol-3-olate Openeye Name: 4-[(E)-N-[(3-bromobenzoyl)amino]-C-(trifluoromethyl)carbonimidoyl]-5-methyl-2-phenyl-pyrazol-3-olate CAS Name: 4-[(1E)-1-[[(3-bromophenyl)-oxomethyl]hydrazinylidene]-2,2,2-trifluoroethyl]-5-methyl-2-phenyl-3-pyrazololate IUPAC Name: 4-[(E)-N-[(3-bromobenzoyl)amino]-C-(trifluoromethyl)carbonimidoyl]-5-methyl-2-phenylpyrazol-3-olate Traditional Name: 4-[(E)-N-[(3-bromobenzoyl)amino]-C-(trifluoromethyl)carbonimidoyl]-5-methyl-2-phenyl-pyrazol-3-olate Formula: C19H13BrF3N4O2- MolecularWeight: 466.23133

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=NNC(=O)C2=CC(=CC=C2)Br)C(F)(F)F)[O-])C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1/C(=N\NC(=O)C2=CC(=CC=C2)Br)/C(F)(F)F)[O-])C3=CC=CC=C3

InChI

InChI=1S/C19H14BrF3N4O2/c1-11-15(18(29)27(26-11)14-8-3-2-4-9-14)16(19(21,22)23)24-25-17(28)12-6-5-7-13(20)10-12/h2-10,29H,1H3,(H,25,28)/p-1/b24-16+