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

Systemtic Name: (E)-4-[[3-[[4-chloranyl-3-(3,5-dicyanophenoxy)-2-fluoranyl-phenyl]methyl]-5-methyl-6-oxidanylidene-pyridazin-1-yl]methoxy]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[[3-[[4-chloro-3-(3,5-dicyanophenoxy)-2-fluoro-phenyl]methyl]-5-methyl-6-oxo-pyridazin-1-yl]methoxy]-4-oxo-but-2-enoic acid CAS Name: (E)-4-[[3-[[4-chloro-3-(3,5-dicyanophenoxy)-2-fluorophenyl]methyl]-5-methyl-6-oxo-1-pyridazinyl]methoxy]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[[3-[[4-chloro-3-(3,5-dicyanophenoxy)-2-fluorophenyl]methyl]-5-methyl-6-oxopyridazin-1-yl]methoxy]-4-oxobut-2-enoic acid Traditional Name: (E)-4-[[3-[4-chloro-3-(3,5-dicyanophenoxy)-2-fluoro-benzyl]-6-keto-5-methyl-pyridazin-1-yl]methoxy]-4-keto-but-2-enoic acid Formula: C25H16ClFN4O6 MolecularWeight: 522.869143

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C25H16ClFN4O6/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/h2-9H,10,13H2,1H3,(H,32,33)/b5-4+