ethyl 4-nitro-3-(7-propan-2-yl-1-benzofuran-2-yl)butanoate

Systemtic Name: ethyl 4-nitro-3-(7-propan-2-yl-1-benzofuran-2-yl)butanoate Openeye Name: ethyl 3-(7-isopropylbenzofuran-2-yl)-4-nitro-butanoate CAS Name: 4-nitro-3-(7-propan-2-yl-2-benzofuranyl)butanoic acid ethyl ester IUPAC Name: ethyl 4-nitro-3-(7-propan-2-yl-1-benzofuran-2-yl)butanoate Traditional Name: 3-(7-isopropylbenzofuran-2-yl)-4-nitro-butyric acid ethyl ester Formula: C17H21NO5 MolecularWeight: 319.35234

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C[N+](=O)[O-])C1=CC2=C(O1)C(=CC=C2)C(C)C

Isomeric SMILES

CCOC(=O)CC(C[N+](=O)[O-])C1=CC2=C(O1)C(=CC=C2)C(C)C

InChI

InChI=1S/C17H21NO5/c1-4-22-16(19)9-13(10-18(20)21)15-8-12-6-5-7-14(11(2)3)17(12)23-15/h5-8,11,13H,4,9-10H2,1-3H3