3-[7-methoxy-2-(3-methoxy-4-oxidanyl-phenyl)-3-nitro-1-benzofuran-5-yl]propyl ethanoate

Systemtic Name: 3-[7-methoxy-2-(3-methoxy-4-oxidanyl-phenyl)-3-nitro-1-benzofuran-5-yl]propyl ethanoate Openeye Name: 3-[2-(4-hydroxy-3-methoxy-phenyl)-7-methoxy-3-nitro-benzofuran-5-yl]propyl acetate CAS Name: acetic acid 3-[2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-3-nitro-5-benzofuranyl]propyl ester IUPAC Name: 3-[2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-3-nitro-1-benzofuran-5-yl]propyl acetate Traditional Name: acetic acid 3-[2-(4-hydroxy-3-methoxy-phenyl)-7-methoxy-3-nitro-benzofuran-5-yl]propyl ester Formula: C21H21NO8 MolecularWeight: 415.39334

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCCC1=CC(=C2C(=C1)C(=C(O2)C3=CC(=C(C=C3)O)OC)[N+](=O)[O-])OC

Isomeric SMILES

CC(=O)OCCCC1=CC(=C2C(=C1)C(=C(O2)C3=CC(=C(C=C3)O)OC)[N+](=O)[O-])OC

InChI

InChI=1S/C21H21NO8/c1-12(23)29-8-4-5-13-9-15-19(22(25)26)20(30-21(15)18(10-13)28-3)14-6-7-16(24)17(11-14)27-2/h6-7,9-11,24H,4-5,8H2,1-3H3