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

Systemtic Name: (E)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-en-1-one Openeye Name: (E)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-en-1-one CAS Name: (E)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)-1-[4-(2-pyrimidinyl)-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-en-1-one Traditional Name: (E)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)-1-[4-(2-pyrimidyl)piperazino]prop-2-en-1-one Formula: C19H19N5O5 MolecularWeight: 397.38466

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N5O5/c25-17(22-6-8-23(9-7-22)19-20-4-1-5-21-19)3-2-14-10-16(24(26)27)11-15-12-28-13-29-18(14)15/h1-5,10-11H,6-9,12-13H2/b3-2+