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

Systemtic Name: 3,5-dinitro-4-piperidin-1-yl-benzoic acid Openeye Name: 3,5-dinitro-4-(1-piperidyl)benzoic acid CAS Name: 3,5-dinitro-4-(1-piperidinyl)benzoic acid IUPAC Name: 3,5-dinitro-4-piperidin-1-ylbenzoic acid Traditional Name: 3,5-dinitro-4-piperidino-benzoic acid Formula: C12H13N3O6 MolecularWeight: 295.24812

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2[N+](=O)[O-])C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2[N+](=O)[O-])C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C12H13N3O6/c16-12(17)8-6-9(14(18)19)11(10(7-8)15(20)21)13-4-2-1-3-5-13/h6-7H,1-5H2,(H,16,17)