(3S)-1-(3-nitropyridin-2-yl)piperidine-3-carboxylate

Systemtic Name: (3S)-1-(3-nitropyridin-2-yl)piperidine-3-carboxylate Openeye Name: (3S)-1-(3-nitro-2-pyridyl)piperidine-3-carboxylate CAS Name: (3S)-1-(3-nitro-2-pyridinyl)-3-piperidinecarboxylate IUPAC Name: (3S)-1-(3-nitropyridin-2-yl)piperidine-3-carboxylate Traditional Name: (3S)-1-(3-nitro-2-pyridyl)nipecotate Formula: C11H12N3O4- MolecularWeight: 250.23068

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=C(C=CC=N2)[N+](=O)[O-])C(=O)[O-]

Isomeric SMILES

C1C[C@@H](CN(C1)C2=C(C=CC=N2)[N+](=O)[O-])C(=O)[O-]

InChI

InChI=1S/C11H13N3O4/c15-11(16)8-3-2-6-13(7-8)10-9(14(17)18)4-1-5-12-10/h1,4-5,8H,2-3,6-7H2,(H,15,16)/p-1/t8-/m0/s1