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

Systemtic Name: 6-[4-[(4-methoxy-4-oxidanylidene-butyl)carbamoyl]-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-olate Openeye Name: 6-[4-[(4-methoxy-4-oxo-butyl)carbamoyl]-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-olate CAS Name: 6-[4-[[(4-methoxy-4-oxobutyl)amino]-oxomethyl]-5-(trifluoromethyl)-1-pyrazolyl]-3-pyridazinolate IUPAC Name: 6-[4-[(4-methoxy-4-oxobutyl)carbamoyl]-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-olate Traditional Name: 6-[4-[(4-keto-4-methoxy-butyl)carbamoyl]-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-olate Formula: C14H13F3N5O4- MolecularWeight: 372.27933

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=O)C1=C(N(N=C1)C2=NN=C(C=C2)[O-])C(F)(F)F

Isomeric SMILES

COC(=O)CCCNC(=O)C1=C(N(N=C1)C2=NN=C(C=C2)[O-])C(F)(F)F

InChI

InChI=1S/C14H14F3N5O4/c1-26-11(24)3-2-6-18-13(25)8-7-19-22(12(8)14(15,16)17)9-4-5-10(23)21-20-9/h4-5,7H,2-3,6H2,1H3,(H,18,25)(H,21,23)/p-1