(3S)-1-(4-chloranyl-2-nitro-phenyl)carbonylpiperidine-3-carboxylate

Systemtic Name: (3S)-1-(4-chloranyl-2-nitro-phenyl)carbonylpiperidine-3-carboxylate Openeye Name: (3S)-1-(4-chloro-2-nitro-benzoyl)piperidine-3-carboxylate CAS Name: (3S)-1-[(4-chloro-2-nitrophenyl)-oxomethyl]-3-piperidinecarboxylate IUPAC Name: (3S)-1-(4-chloro-2-nitrobenzoyl)piperidine-3-carboxylate Traditional Name: (3S)-1-(4-chloro-2-nitro-benzoyl)nipecotate Formula: C13H12ClN2O5- MolecularWeight: 311.69778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13ClN2O5/c14-9-3-4-10(11(6-9)16(20)21)12(17)15-5-1-2-8(7-15)13(18)19/h3-4,6,8H,1-2,5,7H2,(H,18,19)/p-1/t8-/m0/s1