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

Systemtic Name: ethyl 3-(5-butoxy-1-benzofuran-2-yl)-4-nitro-butanoate Openeye Name: ethyl 3-(5-butoxybenzofuran-2-yl)-4-nitro-butanoate CAS Name: 3-(5-butoxy-2-benzofuranyl)-4-nitrobutanoic acid ethyl ester IUPAC Name: ethyl 3-(5-butoxy-1-benzofuran-2-yl)-4-nitrobutanoate Traditional Name: 3-(5-butoxybenzofuran-2-yl)-4-nitro-butyric acid ethyl ester Formula: C18H23NO6 MolecularWeight: 349.37832

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC2=C(C=C1)OC(=C2)C(CC(=O)OCC)C[N+](=O)[O-]

Isomeric SMILES

CCCCOC1=CC2=C(C=C1)OC(=C2)C(CC(=O)OCC)C[N+](=O)[O-]

InChI

InChI=1S/C18H23NO6/c1-3-5-8-24-15-6-7-16-13(9-15)10-17(25-16)14(12-19(21)22)11-18(20)23-4-2/h6-7,9-10,14H,3-5,8,11-12H2,1-2H3