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

Systemtic Name: ethyl 3-(2,3-dihydro-1-benzofuran-6-yl)-2-(4-ethylphenyl)carbonyl-4-nitro-butanoate Openeye Name: ethyl 3-(2,3-dihydrobenzofuran-6-yl)-2-(4-ethylbenzoyl)-4-nitro-butanoate CAS Name: 3-(2,3-dihydrobenzofuran-6-yl)-2-[(4-ethylphenyl)-oxomethyl]-4-nitrobutanoic acid ethyl ester IUPAC Name: ethyl 3-(2,3-dihydro-1-benzofuran-6-yl)-2-(4-ethylbenzoyl)-4-nitrobutanoate Traditional Name: 3-coumaran-6-yl-2-(4-ethylbenzoyl)-4-nitro-butyric acid ethyl ester Formula: C23H25NO6 MolecularWeight: 411.4477

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)C(C(C[N+](=O)[O-])C2=CC3=C(CCO3)C=C2)C(=O)OCC

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)C(C(C[N+](=O)[O-])C2=CC3=C(CCO3)C=C2)C(=O)OCC

InChI

InChI=1S/C23H25NO6/c1-3-15-5-7-17(8-6-15)22(25)21(23(26)29-4-2)19(14-24(27)28)18-10-9-16-11-12-30-20(16)13-18/h5-10,13,19,21H,3-4,11-12,14H2,1-2H3