4-chloranyl-2-[(Z)-[(2R,6R)-2,6-dimethylpiperidin-1-yl]iminomethyl]-6-nitro-phenolate

Systemtic Name: 4-chloranyl-2-[(Z)-[(2R,6R)-2,6-dimethylpiperidin-1-yl]iminomethyl]-6-nitro-phenolate Openeye Name: 4-chloro-2-[(Z)-[(2R,6R)-2,6-dimethyl-1-piperidyl]iminomethyl]-6-nitro-phenolate CAS Name: 4-chloro-2-[(Z)-[(2R,6R)-2,6-dimethyl-1-piperidinyl]iminomethyl]-6-nitrophenolate IUPAC Name: 4-chloro-2-[(Z)-[(2R,6R)-2,6-dimethylpiperidin-1-yl]iminomethyl]-6-nitrophenolate Traditional Name: 4-chloro-2-[(Z)-[(2R,6R)-2,6-dimethylpiperidino]iminomethyl]-6-nitro-phenolate Formula: C14H17ClN3O3- MolecularWeight: 310.75608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1N=CC2=CC(=CC(=C2[O-])[N+](=O)[O-])Cl)C

Isomeric SMILES

C[C@@H]1CCC[C@H](N1/N=C\C2=CC(=CC(=C2[O-])[N+](=O)[O-])Cl)C

InChI

InChI=1S/C14H18ClN3O3/c1-9-4-3-5-10(2)17(9)16-8-11-6-12(15)7-13(14(11)19)18(20)21/h6-10,19H,3-5H2,1-2H3/p-1/b16-8-/t9-,10-/m1/s1