(E)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]prop-2-en-1-one

Systemtic Name: (E)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)-1-[4-(3-thienylmethyl)piperazin-1-yl]prop-2-en-1-one CAS Name: (E)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)-1-[4-(3-thiophenylmethyl)-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)-1-[4-(3-thenyl)piperazino]prop-2-en-1-one Formula: C20H21N3O5S MolecularWeight: 415.46284

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CSC=C2)C(=O)C=CC3=CC(=CC4=C3OCOC4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CSC=C2)C(=O)/C=C/C3=CC(=CC4=C3OCOC4)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O5S/c24-19(22-6-4-21(5-7-22)11-15-3-8-29-13-15)2-1-16-9-18(23(25)26)10-17-12-27-14-28-20(16)17/h1-3,8-10,13H,4-7,11-12,14H2/b2-1+