1-(1,3-benzodioxol-5-ylmethyl)-4-[(3-nitrophenyl)methyl]piperazine; ethanedioic acid

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(3-nitrophenyl)methyl]piperazine; ethanedioic acid Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(3-nitrophenyl)methyl]piperazine; oxalic acid CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(3-nitrophenyl)methyl]piperazine; oxalic acid IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(3-nitrophenyl)methyl]piperazine; oxalic acid Traditional Name: 1-(3-nitrobenzyl)-4-piperonyl-piperazine; oxalic acid Formula: C21H23N3O8 MolecularWeight: 445.42262

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC(=CC=C2)[N+](=O)[O-])CC3=CC4=C(C=C3)OCO4.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CC2=CC(=CC=C2)[N+](=O)[O-])CC3=CC4=C(C=C3)OCO4.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H21N3O4.C2H2O4/c23-22(24)17-3-1-2-15(10-17)12-20-6-8-21(9-7-20)13-16-4-5-18-19(11-16)26-14-25-18;3-1(4)2(5)6/h1-5,10-11H,6-9,12-14H2;(H,3,4)(H,5,6)