3-nitro-2-[(3S)-3-oxidanylpiperidin-1-yl]benzoate

Systemtic Name: 3-nitro-2-[(3S)-3-oxidanylpiperidin-1-yl]benzoate Openeye Name: 2-[(3S)-3-hydroxy-1-piperidyl]-3-nitro-benzoate CAS Name: 2-[(3S)-3-hydroxy-1-piperidinyl]-3-nitrobenzoate IUPAC Name: 2-[(3S)-3-hydroxypiperidin-1-yl]-3-nitrobenzoate Traditional Name: 2-[(3S)-3-hydroxypiperidino]-3-nitro-benzoate Formula: C12H13N2O5- MolecularWeight: 265.24202

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N2O5/c15-8-3-2-6-13(7-8)11-9(12(16)17)4-1-5-10(11)14(18)19/h1,4-5,8,15H,2-3,6-7H2,(H,16,17)/p-1/t8-/m0/s1