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

Systemtic Name: ethyl 3-(2,3-dihydro-1-benzofuran-6-yl)-2-[3-fluoranyl-4-(phenylcarbonyl)phenyl]carbonyl-4-nitro-butanoate Openeye Name: ethyl 2-(4-benzoyl-3-fluoro-benzoyl)-3-(2,3-dihydrobenzofuran-6-yl)-4-nitro-butanoate CAS Name: 2-[(4-benzoyl-3-fluorophenyl)-oxomethyl]-3-(2,3-dihydrobenzofuran-6-yl)-4-nitrobutanoic acid ethyl ester IUPAC Name: ethyl 2-(4-benzoyl-3-fluorobenzoyl)-3-(2,3-dihydro-1-benzofuran-6-yl)-4-nitrobutanoate Traditional Name: 2-(4-benzoyl-3-fluoro-benzoyl)-3-coumaran-6-yl-4-nitro-butyric acid ethyl ester Formula: C28H24FNO7 MolecularWeight: 505.491063

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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)C4=CC=CC=C4)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)C4=CC=CC=C4)F

InChI

InChI=1S/C28H24FNO7/c1-2-36-28(33)25(22(16-30(34)35)19-9-8-17-12-13-37-24(17)15-19)27(32)20-10-11-21(23(29)14-20)26(31)18-6-4-3-5-7-18/h3-11,14-15,22,25H,2,12-13,16H2,1H3