(3R)-1-(2,4-dinitrophenyl)piperidine-3-carboxylate

Systemtic Name: (3R)-1-(2,4-dinitrophenyl)piperidine-3-carboxylate Openeye Name: (3R)-1-(2,4-dinitrophenyl)piperidine-3-carboxylate CAS Name: (3R)-1-(2,4-dinitrophenyl)-3-piperidinecarboxylate IUPAC Name: (3R)-1-(2,4-dinitrophenyl)piperidine-3-carboxylate Traditional Name: (3R)-1-(2,4-dinitrophenyl)nipecotate Formula: C12H12N3O6- MolecularWeight: 294.24018

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C(=O)[O-]

Isomeric SMILES

C1C[C@H](CN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C(=O)[O-]

InChI

InChI=1S/C12H13N3O6/c16-12(17)8-2-1-5-13(7-8)10-4-3-9(14(18)19)6-11(10)15(20)21/h3-4,6,8H,1-2,5,7H2,(H,16,17)/p-1/t8-/m1/s1