3,5-dinitro-2-[4-(4-nitrophenyl)piperazin-1-yl]benzoic acid

Systemtic Name: 3,5-dinitro-2-[4-(4-nitrophenyl)piperazin-1-yl]benzoic acid Openeye Name: 3,5-dinitro-2-[4-(4-nitrophenyl)piperazin-1-yl]benzoic acid CAS Name: 3,5-dinitro-2-[4-(4-nitrophenyl)-1-piperazinyl]benzoic acid IUPAC Name: 3,5-dinitro-2-[4-(4-nitrophenyl)piperazin-1-yl]benzoic acid Traditional Name: 3,5-dinitro-2-[4-(4-nitrophenyl)piperazino]benzoic acid Formula: C17H15N5O8 MolecularWeight: 417.3297

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C3=C(C=C(C=C3C(=O)O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C3=C(C=C(C=C3C(=O)O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H15N5O8/c23-17(24)14-9-13(21(27)28)10-15(22(29)30)16(14)19-7-5-18(6-8-19)11-1-3-12(4-2-11)20(25)26/h1-4,9-10H,5-8H2,(H,23,24)