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

Systemtic Name: ethyl 3-(2,3-dihydro-1-benzofuran-6-yl)-2-(4-methylphenyl)carbonyl-4-nitro-butanoate Openeye Name: ethyl 3-(2,3-dihydrobenzofuran-6-yl)-2-(4-methylbenzoyl)-4-nitro-butanoate CAS Name: 3-(2,3-dihydrobenzofuran-6-yl)-2-[(4-methylphenyl)-oxomethyl]-4-nitrobutanoic acid ethyl ester IUPAC Name: ethyl 3-(2,3-dihydro-1-benzofuran-6-yl)-2-(4-methylbenzoyl)-4-nitrobutanoate Traditional Name: 3-coumaran-6-yl-4-nitro-2-p-toluoyl-butyric acid ethyl ester Formula: C22H23NO6 MolecularWeight: 397.42112

Click to see the large picture

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23NO6/c1-3-28-22(25)20(21(24)16-6-4-14(2)5-7-16)18(13-23(26)27)17-9-8-15-10-11-29-19(15)12-17/h4-9,12,18,20H,3,10-11,13H2,1-2H3