4-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-3-nitro-benzoate

Systemtic Name: 4-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-3-nitro-benzoate Openeye Name: 4-[(2S,6S)-2,6-dimethyl-1-piperidyl]-3-nitro-benzoate CAS Name: 4-[(2S,6S)-2,6-dimethyl-1-piperidinyl]-3-nitrobenzoate IUPAC Name: 4-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-3-nitrobenzoate Traditional Name: 4-[(2S,6S)-2,6-dimethylpiperidino]-3-nitro-benzoate Formula: C14H17N2O4- MolecularWeight: 277.29578

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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