3-chloranyl-2-[4-nitro-5-(propanoylamino)pyrazol-1-yl]-5-(trifluoromethyl)pyridin-4-olate

Systemtic Name: 3-chloranyl-2-[4-nitro-5-(propanoylamino)pyrazol-1-yl]-5-(trifluoromethyl)pyridin-4-olate Openeye Name: 3-chloro-2-[4-nitro-5-(propanoylamino)pyrazol-1-yl]-5-(trifluoromethyl)pyridin-4-olate CAS Name: 3-chloro-2-[4-nitro-5-(1-oxopropylamino)-1-pyrazolyl]-5-(trifluoromethyl)-4-pyridinolate IUPAC Name: 3-chloro-2-[4-nitro-5-(propanoylamino)pyrazol-1-yl]-5-(trifluoromethyl)pyridin-4-olate Traditional Name: 3-chloro-2-(4-nitro-5-propionamido-pyrazol-1-yl)-5-(trifluoromethyl)pyridin-4-olate Formula: C12H8ClF3N5O4- MolecularWeight: 378.67123

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(C=NN1C2=NC=C(C(=C2Cl)[O-])C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CCC(=O)NC1=C(C=NN1C2=NC=C(C(=C2Cl)[O-])C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C12H9ClF3N5O4/c1-2-7(22)19-10-6(21(24)25)4-18-20(10)11-8(13)9(23)5(3-17-11)12(14,15)16/h3-4H,2H2,1H3,(H,17,23)(H,19,22)/p-1