acetamido 2-[(2-fluoranyl-4-phenyl-phenyl)methyl]-4-nitro-benzoate

Systemtic Name: acetamido 2-[(2-fluoranyl-4-phenyl-phenyl)methyl]-4-nitro-benzoate Openeye Name: acetamido 2-[(2-fluoro-4-phenyl-phenyl)methyl]-4-nitro-benzoate CAS Name: 2-[(2-fluoro-4-phenylphenyl)methyl]-4-nitrobenzoic acid acetamido ester IUPAC Name: acetamido 2-[(2-fluoro-4-phenylphenyl)methyl]-4-nitrobenzoate Traditional Name: 2-(2-fluoro-4-phenyl-benzyl)-4-nitro-benzoic acid acetamido ester Formula: C22H17FN2O5 MolecularWeight: 408.379183

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NOC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])CC2=C(C=C(C=C2)C3=CC=CC=C3)F

Isomeric SMILES

CC(=O)NOC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])CC2=C(C=C(C=C2)C3=CC=CC=C3)F

InChI

InChI=1S/C22H17FN2O5/c1-14(26)24-30-22(27)20-10-9-19(25(28)29)12-18(20)11-17-8-7-16(13-21(17)23)15-5-3-2-4-6-15/h2-10,12-13H,11H2,1H3,(H,24,26)