4-[[3-[[4-chloranyl-3-(3,5-dicyanophenoxy)-2-fluoranyl-phenyl]methyl]-5-methyl-6-oxidanylidene-pyridazin-1-yl]methoxy]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[3-[[4-chloranyl-3-(3,5-dicyanophenoxy)-2-fluoranyl-phenyl]methyl]-5-methyl-6-oxidanylidene-pyridazin-1-yl]methoxy]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[3-[[4-chloro-3-(3,5-dicyanophenoxy)-2-fluoro-phenyl]methyl]-5-methyl-6-oxo-pyridazin-1-yl]methoxy]-4-oxo-butanoic acid CAS Name: 4-[[3-[[4-chloro-3-(3,5-dicyanophenoxy)-2-fluorophenyl]methyl]-5-methyl-6-oxo-1-pyridazinyl]methoxy]-4-oxobutanoic acid IUPAC Name: 4-[[3-[[4-chloro-3-(3,5-dicyanophenoxy)-2-fluorophenyl]methyl]-5-methyl-6-oxopyridazin-1-yl]methoxy]-4-oxobutanoic acid Traditional Name: 4-[[3-[4-chloro-3-(3,5-dicyanophenoxy)-2-fluoro-benzyl]-6-keto-5-methyl-pyridazin-1-yl]methoxy]-4-keto-butyric acid Formula: C25H18ClFN4O6 MolecularWeight: 524.885023

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN(C1=O)COC(=O)CCC(=O)O)CC2=C(C(=C(C=C2)Cl)OC3=CC(=CC(=C3)C#N)C#N)F

Isomeric SMILES

CC1=CC(=NN(C1=O)COC(=O)CCC(=O)O)CC2=C(C(=C(C=C2)Cl)OC3=CC(=CC(=C3)C#N)C#N)F

InChI

InChI=1S/C25H18ClFN4O6/c1-14-6-18(30-31(25(14)35)13-36-22(34)5-4-21(32)33)10-17-2-3-20(26)24(23(17)27)37-19-8-15(11-28)7-16(9-19)12-29/h2-3,6-9H,4-5,10,13H2,1H3,(H,32,33)