ethanedioic acid; (4-nitrophenyl)-[4-[(2-nitrophenyl)methyl]piperazin-1-yl]methanone

Systemtic Name: ethanedioic acid; (4-nitrophenyl)-[4-[(2-nitrophenyl)methyl]piperazin-1-yl]methanone Openeye Name: (4-nitrophenyl)-[4-[(2-nitrophenyl)methyl]piperazin-1-yl]methanone; oxalic acid CAS Name: (4-nitrophenyl)-[4-[(2-nitrophenyl)methyl]-1-piperazinyl]methanone; oxalic acid IUPAC Name: (4-nitrophenyl)-[4-[(2-nitrophenyl)methyl]piperazin-1-yl]methanone; oxalic acid Traditional Name: [4-(2-nitrobenzyl)piperazino]-(4-nitrophenyl)methanone; oxalic acid Formula: C20H20N4O9 MolecularWeight: 460.3942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N4O5.C2H2O4/c23-18(14-5-7-16(8-6-14)21(24)25)20-11-9-19(10-12-20)13-15-3-1-2-4-17(15)22(26)27;3-1(4)2(5)6/h1-8H,9-13H2;(H,3,4)(H,5,6)