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

Systemtic Name: ethyl 3-(2,3-dihydro-1-benzofuran-6-yl)-2-(4-methoxyphenyl)carbonyl-4-nitro-butanoate Openeye Name: ethyl 3-(2,3-dihydrobenzofuran-6-yl)-2-(4-methoxybenzoyl)-4-nitro-butanoate CAS Name: 3-(2,3-dihydrobenzofuran-6-yl)-2-[(4-methoxyphenyl)-oxomethyl]-4-nitrobutanoic acid ethyl ester IUPAC Name: ethyl 3-(2,3-dihydro-1-benzofuran-6-yl)-2-(4-methoxybenzoyl)-4-nitrobutanoate Traditional Name: 3-coumaran-6-yl-4-nitro-2-p-anisoyl-butyric acid ethyl ester Formula: C22H23NO7 MolecularWeight: 413.42052

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H23NO7/c1-3-29-22(25)20(21(24)15-6-8-17(28-2)9-7-15)18(13-23(26)27)16-5-4-14-10-11-30-19(14)12-16/h4-9,12,18,20H,3,10-11,13H2,1-2H3