ethanedioic acid; 1-[(5-nitrofuran-2-yl)methyl]-4-(4-nitrophenyl)piperazine

Systemtic Name: ethanedioic acid; 1-[(5-nitrofuran-2-yl)methyl]-4-(4-nitrophenyl)piperazine Openeye Name: 1-[(5-nitro-2-furyl)methyl]-4-(4-nitrophenyl)piperazine; oxalic acid CAS Name: 1-[(5-nitro-2-furanyl)methyl]-4-(4-nitrophenyl)piperazine; oxalic acid IUPAC Name: 1-[(5-nitrofuran-2-yl)methyl]-4-(4-nitrophenyl)piperazine; oxalic acid Traditional Name: 1-[(5-nitro-2-furyl)methyl]-4-(4-nitrophenyl)piperazine; oxalic acid Formula: C17H18N4O9 MolecularWeight: 422.34622

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(O2)[N+](=O)[O-])C3=CC=C(C=C3)[N+](=O)[O-].C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CC2=CC=C(O2)[N+](=O)[O-])C3=CC=C(C=C3)[N+](=O)[O-].C(=O)(C(=O)O)O

InChI

InChI=1S/C15H16N4O5.C2H2O4/c20-18(21)13-3-1-12(2-4-13)17-9-7-16(8-10-17)11-14-5-6-15(24-14)19(22)23;3-1(4)2(5)6/h1-6H,7-11H2;(H,3,4)(H,5,6)