(3S)-1-[(4-nitro-1H-pyrrol-2-yl)carbonyl]piperidine-3-carboxylate

Systemtic Name: (3S)-1-[(4-nitro-1H-pyrrol-2-yl)carbonyl]piperidine-3-carboxylate Openeye Name: (3S)-1-(4-nitro-1H-pyrrole-2-carbonyl)piperidine-3-carboxylate CAS Name: (3S)-1-[(4-nitro-1H-pyrrol-2-yl)-oxomethyl]-3-piperidinecarboxylate IUPAC Name: (3S)-1-(4-nitro-1H-pyrrole-2-carbonyl)piperidine-3-carboxylate Traditional Name: (3S)-1-(4-nitro-1H-pyrrole-2-carbonyl)nipecotate Formula: C11H12N3O5- MolecularWeight: 266.23008

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=CC(=CN2)[N+](=O)[O-])C(=O)[O-]

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)C2=CC(=CN2)[N+](=O)[O-])C(=O)[O-]

InChI

InChI=1S/C11H13N3O5/c15-10(9-4-8(5-12-9)14(18)19)13-3-1-2-7(6-13)11(16)17/h4-5,7,12H,1-3,6H2,(H,16,17)/p-1/t7-/m0/s1