methyl 1-(8-nitroisoquinolin-5-yl)piperidine-4-carboxylate

Systemtic Name: methyl 1-(8-nitroisoquinolin-5-yl)piperidine-4-carboxylate Openeye Name: methyl 1-(8-nitro-5-isoquinolyl)piperidine-4-carboxylate CAS Name: 1-(8-nitro-5-isoquinolinyl)-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-(8-nitroisoquinolin-5-yl)piperidine-4-carboxylate Traditional Name: 1-(8-nitro-5-isoquinolyl)isonipecotic acid methyl ester Formula: C16H17N3O4 MolecularWeight: 315.32388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C2=C3C=CN=CC3=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1CCN(CC1)C2=C3C=CN=CC3=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H17N3O4/c1-23-16(20)11-5-8-18(9-6-11)14-2-3-15(19(21)22)13-10-17-7-4-12(13)14/h2-4,7,10-11H,5-6,8-9H2,1H3