(E)-3-(1,3-benzodioxol-5-yl)-1-[4-(4-nitrophenyl)piperazin-1-yl]prop-2-en-1-one

Systemtic Name: (E)-3-(1,3-benzodioxol-5-yl)-1-[4-(4-nitrophenyl)piperazin-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(1,3-benzodioxol-5-yl)-1-[4-(4-nitrophenyl)piperazin-1-yl]prop-2-en-1-one CAS Name: (E)-3-(1,3-benzodioxol-5-yl)-1-[4-(4-nitrophenyl)-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-(1,3-benzodioxol-5-yl)-1-[4-(4-nitrophenyl)piperazin-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(1,3-benzodioxol-5-yl)-1-[4-(4-nitrophenyl)piperazino]prop-2-en-1-one Formula: C20H19N3O5 MolecularWeight: 381.38196

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C=CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)/C=C/C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H19N3O5/c24-20(8-2-15-1-7-18-19(13-15)28-14-27-18)22-11-9-21(10-12-22)16-3-5-17(6-4-16)23(25)26/h1-8,13H,9-12,14H2/b8-2+