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

Systemtic Name: ethyl 3-(2,3-dihydro-1-benzofuran-6-yl)-2-(4-ethanoyl-3-methoxy-phenyl)carbonyl-4-nitro-butanoate Openeye Name: ethyl 2-(4-acetyl-3-methoxy-benzoyl)-3-(2,3-dihydrobenzofuran-6-yl)-4-nitro-butanoate CAS Name: 2-[(4-acetyl-3-methoxyphenyl)-oxomethyl]-3-(2,3-dihydrobenzofuran-6-yl)-4-nitrobutanoic acid ethyl ester IUPAC Name: ethyl 2-(4-acetyl-3-methoxybenzoyl)-3-(2,3-dihydro-1-benzofuran-6-yl)-4-nitrobutanoate Traditional Name: 2-(4-acetyl-3-methoxy-benzoyl)-3-coumaran-6-yl-4-nitro-butyric acid ethyl ester Formula: C24H25NO8 MolecularWeight: 455.4572

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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)OC

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)OC

InChI

InChI=1S/C24H25NO8/c1-4-32-24(28)22(23(27)17-7-8-18(14(2)26)21(12-17)31-3)19(13-25(29)30)16-6-5-15-9-10-33-20(15)11-16/h5-8,11-12,19,22H,4,9-10,13H2,1-3H3