5-(6-tert-butyl-2,2-dimethyl-5-nitro-3H-1-benzofuran-7-yl)-3-ethyl-4-oxidanyl-oxan-2-one

Systemtic Name: 5-(6-tert-butyl-2,2-dimethyl-5-nitro-3H-1-benzofuran-7-yl)-3-ethyl-4-oxidanyl-oxan-2-one Openeye Name: 5-(6-tert-butyl-2,2-dimethyl-5-nitro-3H-benzofuran-7-yl)-3-ethyl-4-hydroxy-tetrahydropyran-2-one CAS Name: 5-(6-tert-butyl-2,2-dimethyl-5-nitro-3H-benzofuran-7-yl)-3-ethyl-4-hydroxy-2-oxanone IUPAC Name: 5-(6-tert-butyl-2,2-dimethyl-5-nitro-3H-1-benzofuran-7-yl)-3-ethyl-4-hydroxyoxan-2-one Traditional Name: 5-(6-tert-butyl-2,2-dimethyl-5-nitro-coumaran-7-yl)-3-ethyl-4-hydroxy-tetrahydropyran-2-one Formula: C21H29NO6 MolecularWeight: 391.45806

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(C(COC1=O)C2=C3C(=CC(=C2C(C)(C)C)[N+](=O)[O-])CC(O3)(C)C)O

Isomeric SMILES

CCC1C(C(COC1=O)C2=C3C(=CC(=C2C(C)(C)C)[N+](=O)[O-])CC(O3)(C)C)O

InChI

InChI=1S/C21H29NO6/c1-7-12-17(23)13(10-27-19(12)24)15-16(20(2,3)4)14(22(25)26)8-11-9-21(5,6)28-18(11)15/h8,12-13,17,23H,7,9-10H2,1-6H3