ethyl 3-(5-ethoxy-1-benzofuran-2-yl)-4-nitro-butanoate

Systemtic Name: ethyl 3-(5-ethoxy-1-benzofuran-2-yl)-4-nitro-butanoate Openeye Name: ethyl 3-(5-ethoxybenzofuran-2-yl)-4-nitro-butanoate CAS Name: 3-(5-ethoxy-2-benzofuranyl)-4-nitrobutanoic acid ethyl ester IUPAC Name: ethyl 3-(5-ethoxy-1-benzofuran-2-yl)-4-nitrobutanoate Traditional Name: 3-(5-ethoxybenzofuran-2-yl)-4-nitro-butyric acid ethyl ester Formula: C16H19NO6 MolecularWeight: 321.32516

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)OC(=C2)C(CC(=O)OCC)C[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC2=C(C=C1)OC(=C2)C(CC(=O)OCC)C[N+](=O)[O-]

InChI

InChI=1S/C16H19NO6/c1-3-21-13-5-6-14-11(7-13)8-15(23-14)12(10-17(19)20)9-16(18)22-4-2/h5-8,12H,3-4,9-10H2,1-2H3