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

Systemtic Name: (E)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(2-nitrophenyl)prop-2-en-1-one Openeye Name: (E)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(2-nitrophenyl)prop-2-en-1-one CAS Name: (E)-1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-3-(2-nitrophenyl)-2-propen-1-one IUPAC Name: (E)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(2-nitrophenyl)prop-2-en-1-one Traditional Name: (E)-3-(2-nitrophenyl)-1-(4-piperonylpiperazino)prop-2-en-1-one Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C=CC4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)/C=C/C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O5/c25-21(8-6-17-3-1-2-4-18(17)24(26)27)23-11-9-22(10-12-23)14-16-5-7-19-20(13-16)29-15-28-19/h1-8,13H,9-12,14-15H2/b8-6+