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

Systemtic Name: [4-[bis(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)methyl]-2-methoxy-phenyl] 2-fluoranylbenzoate Openeye Name: [4-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-2-methoxy-phenyl] 2-fluorobenzoate CAS Name: 2-fluorobenzoic acid [4-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-2-methoxyphenyl] ester IUPAC Name: [4-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-2-methoxyphenyl] 2-fluorobenzoate Traditional Name: 2-fluorobenzoic acid [4-[bis(3-keto-5-methyl-3-pyrazolin-4-yl)methyl]-2-methoxy-phenyl] ester Formula: C23H21FN4O5 MolecularWeight: 452.435043

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NN1)C(C2=CC(=C(C=C2)OC(=O)C3=CC=CC=C3F)OC)C4=C(NNC4=O)C

Isomeric SMILES

CC1=C(C(=O)NN1)C(C2=CC(=C(C=C2)OC(=O)C3=CC=CC=C3F)OC)C4=C(NNC4=O)C

InChI

InChI=1S/C23H21FN4O5/c1-11-18(21(29)27-25-11)20(19-12(2)26-28-22(19)30)13-8-9-16(17(10-13)32-3)33-23(31)14-6-4-5-7-15(14)24/h4-10,20H,1-3H3,(H2,25,27,29)(H2,26,28,30)