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

Systemtic Name: ethyl 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-ethyl-3-fluoranyl-phenyl)carbonyl-4-nitro-butanoate Openeye Name: ethyl 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-ethyl-3-fluoro-benzoyl)-4-nitro-butanoate CAS Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-ethyl-3-fluorophenyl)-oxomethyl]-4-nitrobutanoic acid ethyl ester IUPAC Name: ethyl 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-ethyl-3-fluorobenzoyl)-4-nitrobutanoate Traditional Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-ethyl-3-fluoro-benzoyl)-4-nitro-butyric acid ethyl ester Formula: C23H24FNO7 MolecularWeight: 445.437563

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)C(=O)C(C(C[N+](=O)[O-])C2=CC3=C(C=C2)OCCO3)C(=O)OCC)F

Isomeric SMILES

CCC1=C(C=C(C=C1)C(=O)C(C(C[N+](=O)[O-])C2=CC3=C(C=C2)OCCO3)C(=O)OCC)F

InChI

InChI=1S/C23H24FNO7/c1-3-14-5-6-16(11-18(14)24)22(26)21(23(27)30-4-2)17(13-25(28)29)15-7-8-19-20(12-15)32-10-9-31-19/h5-8,11-12,17,21H,3-4,9-10,13H2,1-2H3