3,5-dinitro-4-piperazin-1-yl-benzoic acid

Systemtic Name: 3,5-dinitro-4-piperazin-1-yl-benzoic acid Openeye Name: 3,5-dinitro-4-piperazin-1-yl-benzoic acid CAS Name: 3,5-dinitro-4-(1-piperazinyl)benzoic acid IUPAC Name: 3,5-dinitro-4-piperazin-1-ylbenzoic acid Traditional Name: 3,5-dinitro-4-piperazino-benzoic acid Formula: C11H12N4O6 MolecularWeight: 296.23618

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=C(C=C(C=C2[N+](=O)[O-])C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1)C2=C(C=C(C=C2[N+](=O)[O-])C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C11H12N4O6/c16-11(17)7-5-8(14(18)19)10(9(6-7)15(20)21)13-3-1-12-2-4-13/h5-6,12H,1-4H2,(H,16,17)