(3S)-1-(4-nitrophenyl)carbonylpiperidine-3-carboxylate

Systemtic Name: (3S)-1-(4-nitrophenyl)carbonylpiperidine-3-carboxylate Openeye Name: (3S)-1-(4-nitrobenzoyl)piperidine-3-carboxylate CAS Name: (3S)-1-[(4-nitrophenyl)-oxomethyl]-3-piperidinecarboxylate IUPAC Name: (3S)-1-(4-nitrobenzoyl)piperidine-3-carboxylate Traditional Name: (3S)-1-(4-nitrobenzoyl)nipecotate Formula: C13H13N2O5- MolecularWeight: 277.25272

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2O5/c16-12(9-3-5-11(6-4-9)15(19)20)14-7-1-2-10(8-14)13(17)18/h3-6,10H,1-2,7-8H2,(H,17,18)/p-1/t10-/m0/s1