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

Systemtic Name: ethyl 3-(1-benzofuran-4-yl)-2-(4-methoxyphenyl)carbonyl-4-nitro-butanoate Openeye Name: ethyl 3-(benzofuran-4-yl)-2-(4-methoxybenzoyl)-4-nitro-butanoate CAS Name: 3-(4-benzofuranyl)-2-[(4-methoxyphenyl)-oxomethyl]-4-nitrobutanoic acid ethyl ester IUPAC Name: ethyl 3-(1-benzofuran-4-yl)-2-(4-methoxybenzoyl)-4-nitrobutanoate Traditional Name: 3-(benzofuran-4-yl)-4-nitro-2-p-anisoyl-butyric acid ethyl ester Formula: C22H21NO7 MolecularWeight: 411.40464

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C[N+](=O)[O-])C1=C2C=COC2=CC=C1)C(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CCOC(=O)C(C(C[N+](=O)[O-])C1=C2C=COC2=CC=C1)C(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H21NO7/c1-3-29-22(25)20(21(24)14-7-9-15(28-2)10-8-14)18(13-23(26)27)16-5-4-6-19-17(16)11-12-30-19/h4-12,18,20H,3,13H2,1-2H3