ethyl 3,5-bis(oxidanyl)-7-(2,2,4,6-tetramethyl-5-nitro-3H-1-benzofuran-7-yl)heptanoate

Systemtic Name: ethyl 3,5-bis(oxidanyl)-7-(2,2,4,6-tetramethyl-5-nitro-3H-1-benzofuran-7-yl)heptanoate Openeye Name: ethyl 3,5-dihydroxy-7-(2,2,4,6-tetramethyl-5-nitro-3H-benzofuran-7-yl)heptanoate CAS Name: 3,5-dihydroxy-7-(2,2,4,6-tetramethyl-5-nitro-3H-benzofuran-7-yl)heptanoic acid ethyl ester IUPAC Name: ethyl 3,5-dihydroxy-7-(2,2,4,6-tetramethyl-5-nitro-3H-1-benzofuran-7-yl)heptanoate Traditional Name: 3,5-dihydroxy-7-(2,2,4,6-tetramethyl-5-nitro-coumaran-7-yl)enanthic acid ethyl ester Formula: C21H31NO7 MolecularWeight: 409.47334

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(CC(CCC1=C2C(=C(C(=C1C)[N+](=O)[O-])C)CC(O2)(C)C)O)O

Isomeric SMILES

CCOC(=O)CC(CC(CCC1=C2C(=C(C(=C1C)[N+](=O)[O-])C)CC(O2)(C)C)O)O

InChI

InChI=1S/C21H31NO7/c1-6-28-18(25)10-15(24)9-14(23)7-8-16-12(2)19(22(26)27)13(3)17-11-21(4,5)29-20(16)17/h14-15,23-24H,6-11H2,1-5H3