[2-(5-fluoranyl-2-methoxy-phenyl)-2-oxidanylidene-ethyl] 4-tert-butyl-3-nitro-benzoate

Systemtic Name: [2-(5-fluoranyl-2-methoxy-phenyl)-2-oxidanylidene-ethyl] 4-tert-butyl-3-nitro-benzoate Openeye Name: [2-(5-fluoro-2-methoxy-phenyl)-2-oxo-ethyl] 4-tert-butyl-3-nitro-benzoate CAS Name: 4-tert-butyl-3-nitrobenzoic acid [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 4-tert-butyl-3-nitrobenzoate Traditional Name: 4-tert-butyl-3-nitro-benzoic acid [2-(5-fluoro-2-methoxy-phenyl)-2-keto-ethyl] ester Formula: C20H20FNO6 MolecularWeight: 389.374303

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=C(C=C1)C(=O)OCC(=O)C2=C(C=CC(=C2)F)OC)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=C(C=C(C=C1)C(=O)OCC(=O)C2=C(C=CC(=C2)F)OC)[N+](=O)[O-]

InChI

InChI=1S/C20H20FNO6/c1-20(2,3)15-7-5-12(9-16(15)22(25)26)19(24)28-11-17(23)14-10-13(21)6-8-18(14)27-4/h5-10H,11H2,1-4H3