ethyl 3-(2,3-dihydro-1-benzofuran-6-yl)-2-(4-ethanoyl-3-fluoranyl-phenyl)carbonyl-4-nitro-butanoate

Systemtic Name: ethyl 3-(2,3-dihydro-1-benzofuran-6-yl)-2-(4-ethanoyl-3-fluoranyl-phenyl)carbonyl-4-nitro-butanoate Openeye Name: ethyl 2-(4-acetyl-3-fluoro-benzoyl)-3-(2,3-dihydrobenzofuran-6-yl)-4-nitro-butanoate CAS Name: 2-[(4-acetyl-3-fluorophenyl)-oxomethyl]-3-(2,3-dihydrobenzofuran-6-yl)-4-nitrobutanoic acid ethyl ester IUPAC Name: ethyl 2-(4-acetyl-3-fluorobenzoyl)-3-(2,3-dihydro-1-benzofuran-6-yl)-4-nitrobutanoate Traditional Name: 2-(4-acetyl-3-fluoro-benzoyl)-3-coumaran-6-yl-4-nitro-butyric acid ethyl ester Formula: C23H22FNO7 MolecularWeight: 443.421683

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C[N+](=O)[O-])C1=CC2=C(CCO2)C=C1)C(=O)C3=CC(=C(C=C3)C(=O)C)F

Isomeric SMILES

CCOC(=O)C(C(C[N+](=O)[O-])C1=CC2=C(CCO2)C=C1)C(=O)C3=CC(=C(C=C3)C(=O)C)F

InChI

InChI=1S/C23H22FNO7/c1-3-31-23(28)21(22(27)16-6-7-17(13(2)26)19(24)10-16)18(12-25(29)30)15-5-4-14-8-9-32-20(14)11-15/h4-7,10-11,18,21H,3,8-9,12H2,1-2H3