5-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-nitro-benzoate

Systemtic Name: 5-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-nitro-benzoate Openeye Name: 5-[(2S,6S)-2,6-dimethyl-1-piperidyl]-2-nitro-benzoate CAS Name: 5-[(2S,6S)-2,6-dimethyl-1-piperidinyl]-2-nitrobenzoate IUPAC Name: 5-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-nitrobenzoate Traditional Name: 5-[(2S,6S)-2,6-dimethylpiperidino]-2-nitro-benzoate Formula: C14H17N2O4- MolecularWeight: 277.29578

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1C2=CC(=C(C=C2)[N+](=O)[O-])C(=O)[O-])C

Isomeric SMILES

C[C@H]1CCC[C@@H](N1C2=CC(=C(C=C2)[N+](=O)[O-])C(=O)[O-])C

InChI

InChI=1S/C14H18N2O4/c1-9-4-3-5-10(2)15(9)11-6-7-13(16(19)20)12(8-11)14(17)18/h6-10H,3-5H2,1-2H3,(H,17,18)/p-1/t9-,10-/m0/s1