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

Systemtic Name: ethyl 3-(5-ethyl-1-benzofuran-2-yl)-4-nitro-butanoate Openeye Name: ethyl 3-(5-ethylbenzofuran-2-yl)-4-nitro-butanoate CAS Name: 3-(5-ethyl-2-benzofuranyl)-4-nitrobutanoic acid ethyl ester IUPAC Name: ethyl 3-(5-ethyl-1-benzofuran-2-yl)-4-nitrobutanoate Traditional Name: 3-(5-ethylbenzofuran-2-yl)-4-nitro-butyric acid ethyl ester Formula: C16H19NO5 MolecularWeight: 305.32576

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)OC(=C2)C(CC(=O)OCC)C[N+](=O)[O-]

Isomeric SMILES

CCC1=CC2=C(C=C1)OC(=C2)C(CC(=O)OCC)C[N+](=O)[O-]

InChI

InChI=1S/C16H19NO5/c1-3-11-5-6-14-12(7-11)8-15(22-14)13(10-17(19)20)9-16(18)21-4-2/h5-8,13H,3-4,9-10H2,1-2H3