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

Systemtic Name: 3,5-dinitro-4-[4-(4-nitrophenyl)piperazin-1-yl]benzoic acid Openeye Name: 3,5-dinitro-4-[4-(4-nitrophenyl)piperazin-1-yl]benzoic acid CAS Name: 3,5-dinitro-4-[4-(4-nitrophenyl)-1-piperazinyl]benzoic acid IUPAC Name: 3,5-dinitro-4-[4-(4-nitrophenyl)piperazin-1-yl]benzoic acid Traditional Name: 3,5-dinitro-4-[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=C3[N+](=O)[O-])C(=O)O)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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