[4-[bis(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)methyl]-2-ethoxy-phenyl] 2-fluoranylbenzoate

Systemtic Name: [4-[bis(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)methyl]-2-ethoxy-phenyl] 2-fluoranylbenzoate Openeye Name: [4-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-2-ethoxy-phenyl] 2-fluorobenzoate CAS Name: 2-fluorobenzoic acid [4-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-2-ethoxyphenyl] ester IUPAC Name: [4-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-2-ethoxyphenyl] 2-fluorobenzoate Traditional Name: 2-fluorobenzoic acid [4-[bis(3-keto-5-methyl-3-pyrazolin-4-yl)methyl]-2-ethoxy-phenyl] ester Formula: C24H23FN4O5 MolecularWeight: 466.461623

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(C2=C(NNC2=O)C)C3=C(NNC3=O)C)OC(=O)C4=CC=CC=C4F

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(C2=C(NNC2=O)C)C3=C(NNC3=O)C)OC(=O)C4=CC=CC=C4F

InChI

InChI=1S/C24H23FN4O5/c1-4-33-18-11-14(9-10-17(18)34-24(32)15-7-5-6-8-16(15)25)21(19-12(2)26-28-22(19)30)20-13(3)27-29-23(20)31/h5-11,21H,4H2,1-3H3,(H2,26,28,30)(H2,27,29,31)