ethanedioic acid; 1-[2-(3-nitrophenoxy)ethyl]-4-(phenylmethyl)piperazine

Systemtic Name: ethanedioic acid; 1-[2-(3-nitrophenoxy)ethyl]-4-(phenylmethyl)piperazine Openeye Name: 1-benzyl-4-[2-(3-nitrophenoxy)ethyl]piperazine; oxalic acid CAS Name: 1-[2-(3-nitrophenoxy)ethyl]-4-(phenylmethyl)piperazine; oxalic acid IUPAC Name: 1-benzyl-4-[2-(3-nitrophenoxy)ethyl]piperazine; oxalic acid Traditional Name: 1-benzyl-4-[2-(3-nitrophenoxy)ethyl]piperazine; oxalic acid Formula: C21H25N3O7 MolecularWeight: 431.4391

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCOC2=CC=CC(=C2)[N+](=O)[O-])CC3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CCOC2=CC=CC(=C2)[N+](=O)[O-])CC3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H23N3O3.C2H2O4/c23-22(24)18-7-4-8-19(15-18)25-14-13-20-9-11-21(12-10-20)16-17-5-2-1-3-6-17;3-1(4)2(5)6/h1-8,15H,9-14,16H2;(H,3,4)(H,5,6)