tert-butyl 2-[4-(fluoranylmethyl)-2-nitro-phenyl]carbonyl-3-oxidanylidene-4-phenyl-butanoate

Systemtic Name: tert-butyl 2-[4-(fluoranylmethyl)-2-nitro-phenyl]carbonyl-3-oxidanylidene-4-phenyl-butanoate Openeye Name: tert-butyl 2-[4-(fluoromethyl)-2-nitro-benzoyl]-3-oxo-4-phenyl-butanoate CAS Name: 2-[[4-(fluoromethyl)-2-nitrophenyl]-oxomethyl]-3-oxo-4-phenylbutanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-(fluoromethyl)-2-nitrobenzoyl]-3-oxo-4-phenylbutanoate Traditional Name: 2-[4-(fluoromethyl)-2-nitro-benzoyl]-3-keto-4-phenyl-butyric acid tert-butyl ester Formula: C22H22FNO6 MolecularWeight: 415.411583

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(C(=O)CC1=CC=CC=C1)C(=O)C2=C(C=C(C=C2)CF)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)C(C(=O)CC1=CC=CC=C1)C(=O)C2=C(C=C(C=C2)CF)[N+](=O)[O-]

InChI

InChI=1S/C22H22FNO6/c1-22(2,3)30-21(27)19(18(25)12-14-7-5-4-6-8-14)20(26)16-10-9-15(13-23)11-17(16)24(28)29/h4-11,19H,12-13H2,1-3H3