ethanedioic acid; 1-[3-(3-nitrophenoxy)propyl]-4-(phenylmethyl)piperazine

Systemtic Name: ethanedioic acid; 1-[3-(3-nitrophenoxy)propyl]-4-(phenylmethyl)piperazine Openeye Name: 1-benzyl-4-[3-(3-nitrophenoxy)propyl]piperazine; oxalic acid CAS Name: 1-[3-(3-nitrophenoxy)propyl]-4-(phenylmethyl)piperazine; oxalic acid IUPAC Name: 1-benzyl-4-[3-(3-nitrophenoxy)propyl]piperazine; oxalic acid Traditional Name: 1-benzyl-4-[3-(3-nitrophenoxy)propyl]piperazine; oxalic acid Formula: C22H27N3O7 MolecularWeight: 445.46568

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCOC2=CC=CC(=C2)[N+](=O)[O-])CC3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CCCOC2=CC=CC(=C2)[N+](=O)[O-])CC3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H25N3O3.C2H2O4/c24-23(25)19-8-4-9-20(16-19)26-15-5-10-21-11-13-22(14-12-21)17-18-6-2-1-3-7-18;3-1(4)2(5)6/h1-4,6-9,16H,5,10-15,17H2;(H,3,4)(H,5,6)