1-(5,5-dimethyl-2-nitro-6-oxidanyl-thieno[3,2-b]pyran-7-yl)azepan-2-one

Systemtic Name: 1-(5,5-dimethyl-2-nitro-6-oxidanyl-thieno[3,2-b]pyran-7-yl)azepan-2-one Openeye Name: 1-(6-hydroxy-5,5-dimethyl-2-nitro-thieno[3,2-b]pyran-7-yl)azepan-2-one CAS Name: 1-(6-hydroxy-5,5-dimethyl-2-nitro-7-thieno[3,2-b]pyranyl)-2-azepanone IUPAC Name: 1-(6-hydroxy-5,5-dimethyl-2-nitrothieno[3,2-b]pyran-7-yl)azepan-2-one Traditional Name: 1-(6-hydroxy-5,5-dimethyl-2-nitro-thieno[3,2-b]pyran-7-yl)azepan-2-one Formula: C15H18N2O5S MolecularWeight: 338.37882

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=C(C2=C(O1)C=C(S2)[N+](=O)[O-])N3CCCCCC3=O)O)C

Isomeric SMILES

CC1(C(=C(C2=C(O1)C=C(S2)[N+](=O)[O-])N3CCCCCC3=O)O)C

InChI

InChI=1S/C15H18N2O5S/c1-15(2)14(19)12(16-7-5-3-4-6-10(16)18)13-9(22-15)8-11(23-13)17(20)21/h8,19H,3-7H2,1-2H3