ethanedioic acid; 1-[(6-nitro-1,3-benzodioxol-5-yl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine

Systemtic Name: ethanedioic acid; 1-[(6-nitro-1,3-benzodioxol-5-yl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine Openeye Name: 1-[(E)-cinnamyl]-4-[(6-nitro-1,3-benzodioxol-5-yl)methyl]piperazine; oxalic acid CAS Name: 1-[(6-nitro-1,3-benzodioxol-5-yl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine; oxalic acid IUPAC Name: 1-[(6-nitro-1,3-benzodioxol-5-yl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine; oxalic acid Traditional Name: 1-[(E)-cinnamyl]-4-[(6-nitro-1,3-benzodioxol-5-yl)methyl]piperazine; oxalic acid Formula: C23H25N3O8 MolecularWeight: 471.4599

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC=CC2=CC=CC=C2)CC3=CC4=C(C=C3[N+](=O)[O-])OCO4.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1C/C=C/C2=CC=CC=C2)CC3=CC4=C(C=C3[N+](=O)[O-])OCO4.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H23N3O4.C2H2O4/c25-24(26)19-14-21-20(27-16-28-21)13-18(19)15-23-11-9-22(10-12-23)8-4-7-17-5-2-1-3-6-17;3-1(4)2(5)6/h1-7,13-14H,8-12,15-16H2;(H,3,4)(H,5,6)/b7-4+;