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

Systemtic Name: 2-methyl-1-[4-[(E)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-enoyl]piperazin-1-yl]propan-1-one Openeye Name: 2-methyl-1-[4-[(E)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-enoyl]piperazin-1-yl]propan-1-one CAS Name: 2-methyl-1-[4-[(E)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)-1-oxoprop-2-enyl]-1-piperazinyl]-1-propanone IUPAC Name: 2-methyl-1-[4-[(E)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-enoyl]piperazin-1-yl]propan-1-one Traditional Name: 2-methyl-1-[4-[(E)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)acryloyl]piperazino]propan-1-one Formula: C19H23N3O6 MolecularWeight: 389.40242

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCN(CC1)C(=O)C=CC2=CC(=CC3=C2OCOC3)[N+](=O)[O-]

Isomeric SMILES

CC(C)C(=O)N1CCN(CC1)C(=O)/C=C/C2=CC(=CC3=C2OCOC3)[N+](=O)[O-]

InChI

InChI=1S/C19H23N3O6/c1-13(2)19(24)21-7-5-20(6-8-21)17(23)4-3-14-9-16(22(25)26)10-15-11-27-12-28-18(14)15/h3-4,9-10,13H,5-8,11-12H2,1-2H3/b4-3+