2-methyl-1-[4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-1-yl]propan-1-one

Systemtic Name: 2-methyl-1-[4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-1-yl]propan-1-one Openeye Name: 2-methyl-1-[4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-1-yl]propan-1-one CAS Name: 2-methyl-1-[4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-1-piperazinyl]-1-propanone IUPAC Name: 2-methyl-1-[4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-1-yl]propan-1-one Traditional Name: 2-methyl-1-[4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]piperazino]propan-1-one Formula: C17H23N3O5 MolecularWeight: 349.38162

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCN(CC1)CC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

Isomeric SMILES

CC(C)C(=O)N1CCN(CC1)CC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

InChI

InChI=1S/C17H23N3O5/c1-12(2)17(21)19-5-3-18(4-6-19)9-13-7-15(20(22)23)8-14-10-24-11-25-16(13)14/h7-8,12H,3-6,9-11H2,1-2H3