(E)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)prop-2-en-1-one

Systemtic Name: (E)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)prop-2-en-1-one Openeye Name: (E)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)-1-[4-(2-pyridyl)piperazin-1-yl]prop-2-en-1-one CAS Name: (E)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)-1-[4-(2-pyridinyl)-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)prop-2-en-1-one Traditional Name: (E)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)-1-[4-(2-pyridyl)piperazino]prop-2-en-1-one Formula: C20H20N4O5 MolecularWeight: 396.3966

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=N2)C(=O)C=CC3=CC(=CC4=C3OCOC4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=CC=N2)C(=O)/C=C/C3=CC(=CC4=C3OCOC4)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O5/c25-19(23-9-7-22(8-10-23)18-3-1-2-6-21-18)5-4-15-11-17(24(26)27)12-16-13-28-14-29-20(15)16/h1-6,11-12H,7-10,13-14H2/b5-4+