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

Systemtic Name: ethyl 3-(5-butan-2-yl-1-benzofuran-2-yl)-4-nitro-butanoate Openeye Name: ethyl 4-nitro-3-(5-sec-butylbenzofuran-2-yl)butanoate CAS Name: 3-(5-butan-2-yl-2-benzofuranyl)-4-nitrobutanoic acid ethyl ester IUPAC Name: ethyl 3-(5-butan-2-yl-1-benzofuran-2-yl)-4-nitrobutanoate Traditional Name: 4-nitro-3-(5-sec-butylbenzofuran-2-yl)butyric acid ethyl ester Formula: C18H23NO5 MolecularWeight: 333.37892

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23NO5/c1-4-12(3)13-6-7-16-14(8-13)9-17(24-16)15(11-19(21)22)10-18(20)23-5-2/h6-9,12,15H,4-5,10-11H2,1-3H3