(2S)-1-(4-methoxy-2-nitro-phenyl)piperidine-2-carboxylate

Systemtic Name: (2S)-1-(4-methoxy-2-nitro-phenyl)piperidine-2-carboxylate Openeye Name: (2S)-1-(4-methoxy-2-nitro-phenyl)piperidine-2-carboxylate CAS Name: (2S)-1-(4-methoxy-2-nitrophenyl)-2-piperidinecarboxylate IUPAC Name: (2S)-1-(4-methoxy-2-nitrophenyl)piperidine-2-carboxylate Traditional Name: (2S)-1-(4-methoxy-2-nitro-phenyl)pipecolinate Formula: C13H15N2O5- MolecularWeight: 279.2686

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)N2CCCCC2C(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)N2CCCC[C@H]2C(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H16N2O5/c1-20-9-5-6-10(12(8-9)15(18)19)14-7-3-2-4-11(14)13(16)17/h5-6,8,11H,2-4,7H2,1H3,(H,16,17)/p-1/t11-/m0/s1