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

Systemtic Name: 6-[4-[(3-ethanoylphenyl)carbamoyl]-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-olate Openeye Name: 6-[4-[(3-acetylphenyl)carbamoyl]-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-olate CAS Name: 6-[4-[(3-acetylanilino)-oxomethyl]-5-(trifluoromethyl)-1-pyrazolyl]-3-pyridazinolate IUPAC Name: 6-[4-[(3-acetylphenyl)carbamoyl]-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-olate Traditional Name: 6-[4-[(3-acetylphenyl)carbamoyl]-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-olate Formula: C17H11F3N5O3- MolecularWeight: 390.29615

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H12F3N5O3/c1-9(26)10-3-2-4-11(7-10)22-16(28)12-8-21-25(15(12)17(18,19)20)13-5-6-14(27)24-23-13/h2-8H,1H3,(H,22,28)(H,24,27)/p-1