(3S)-3,4-dimethyl-7-[(6-nitro-4H-1,3-benzodioxin-8-yl)methoxy]-2,3-dihydroinden-1-one

Systemtic Name: (3S)-3,4-dimethyl-7-[(6-nitro-4H-1,3-benzodioxin-8-yl)methoxy]-2,3-dihydroinden-1-one Openeye Name: (3S)-3,4-dimethyl-7-[(6-nitro-4H-1,3-benzodioxin-8-yl)methoxy]indan-1-one CAS Name: (3S)-3,4-dimethyl-7-[(6-nitro-4H-1,3-benzodioxin-8-yl)methoxy]-2,3-dihydroinden-1-one IUPAC Name: (3S)-3,4-dimethyl-7-[(6-nitro-4H-1,3-benzodioxin-8-yl)methoxy]-2,3-dihydroinden-1-one Traditional Name: (3S)-3,4-dimethyl-7-[(6-nitro-4H-1,3-benzodioxin-8-yl)methoxy]indan-1-one Formula: C20H19NO6 MolecularWeight: 369.36796

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)C2=C(C=CC(=C12)C)OCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

Isomeric SMILES

C[C@H]1CC(=O)C2=C(C=CC(=C12)C)OCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

InChI

InChI=1S/C20H19NO6/c1-11-3-4-17(19-16(22)5-12(2)18(11)19)26-9-14-7-15(21(23)24)6-13-8-25-10-27-20(13)14/h3-4,6-7,12H,5,8-10H2,1-2H3/t12-/m0/s1