(2,3,4,5,6-pentamethylphenyl)methyl 4-fluoranyl-3-nitro-benzoate

Systemtic Name: (2,3,4,5,6-pentamethylphenyl)methyl 4-fluoranyl-3-nitro-benzoate Openeye Name: (2,3,4,5,6-pentamethylphenyl)methyl 4-fluoranyl-3-nitro-benzoate CAS Name: 4-fluoranyl-3-nitrobenzoic acid (2,3,4,5,6-pentamethylphenyl)methyl ester IUPAC Name: (2,3,4,5,6-pentamethylphenyl)methyl 4-fluoranyl-3-nitrobenzoate Traditional Name: 4-fluoranyl-3-nitro-benzoic acid (2,3,4,5,6-pentamethylbenzyl) ester Formula: C19H20FNO4 MolecularWeight: 344.367338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1C)C)COC(=O)C2=CC(=C(C=C2)F)[N+](=O)[O-])C)C

Isomeric SMILES

CC1=C(C(=C(C(=C1C)C)COC(=O)C2=CC(=C(C=C2)[18F])[N+](=O)[O-])C)C

InChI

InChI=1S/C19H20FNO4/c1-10-11(2)13(4)16(14(5)12(10)3)9-25-19(22)15-6-7-17(20)18(8-15)21(23)24/h6-8H,9H2,1-5H3/i20-1