1-(2,2-dimethyl-6-nitro-3-oxidanyl-3,4-dihydrochromen-4-yl)-3-hexoxy-2H-pyrrol-5-one

Systemtic Name: 1-(2,2-dimethyl-6-nitro-3-oxidanyl-3,4-dihydrochromen-4-yl)-3-hexoxy-2H-pyrrol-5-one Openeye Name: 3-hexoxy-1-(3-hydroxy-2,2-dimethyl-6-nitro-chroman-4-yl)-2H-pyrrol-5-one CAS Name: 3-hexoxy-1-(3-hydroxy-2,2-dimethyl-6-nitro-3,4-dihydro-2H-1-benzopyran-4-yl)-2H-pyrrol-5-one IUPAC Name: 3-hexoxy-1-(3-hydroxy-2,2-dimethyl-6-nitro-3,4-dihydrochromen-4-yl)-2H-pyrrol-5-one Traditional Name: 4-hexoxy-1-(3-hydroxy-2,2-dimethyl-6-nitro-chroman-4-yl)-3-pyrrolin-2-one Formula: C21H28N2O6 MolecularWeight: 404.45682

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC(=O)N(C1)C2C(C(OC3=C2C=C(C=C3)[N+](=O)[O-])(C)C)O

Isomeric SMILES

CCCCCCOC1=CC(=O)N(C1)C2C(C(OC3=C2C=C(C=C3)[N+](=O)[O-])(C)C)O

InChI

InChI=1S/C21H28N2O6/c1-4-5-6-7-10-28-15-12-18(24)22(13-15)19-16-11-14(23(26)27)8-9-17(16)29-21(2,3)20(19)25/h8-9,11-12,19-20,25H,4-7,10,13H2,1-3H3