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

Systemtic Name: ethyl 4-nitro-3-(5-propoxy-1-benzofuran-2-yl)butanoate Openeye Name: ethyl 4-nitro-3-(5-propoxybenzofuran-2-yl)butanoate CAS Name: 4-nitro-3-(5-propoxy-2-benzofuranyl)butanoic acid ethyl ester IUPAC Name: ethyl 4-nitro-3-(5-propoxy-1-benzofuran-2-yl)butanoate Traditional Name: 4-nitro-3-(5-propoxybenzofuran-2-yl)butyric acid ethyl ester Formula: C17H21NO6 MolecularWeight: 335.35174

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC2=C(C=C1)OC(=C2)C(CC(=O)OCC)C[N+](=O)[O-]

Isomeric SMILES

CCCOC1=CC2=C(C=C1)OC(=C2)C(CC(=O)OCC)C[N+](=O)[O-]

InChI

InChI=1S/C17H21NO6/c1-3-7-23-14-5-6-15-12(8-14)9-16(24-15)13(11-18(20)21)10-17(19)22-4-2/h5-6,8-9,13H,3-4,7,10-11H2,1-2H3