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

Systemtic Name: ethyl 1-(8-nitroisoquinolin-5-yl)piperidine-4-carboxylate Openeye Name: ethyl 1-(8-nitro-5-isoquinolyl)piperidine-4-carboxylate CAS Name: 1-(8-nitro-5-isoquinolinyl)-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(8-nitroisoquinolin-5-yl)piperidine-4-carboxylate Traditional Name: 1-(8-nitro-5-isoquinolyl)isonipecotic acid ethyl ester Formula: C17H19N3O4 MolecularWeight: 329.35046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O4/c1-2-24-17(21)12-6-9-19(10-7-12)15-3-4-16(20(22)23)14-11-18-8-5-13(14)15/h3-5,8,11-12H,2,6-7,9-10H2,1H3