ethyl 1-[(5-nitroindazol-1-yl)methyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[(5-nitroindazol-1-yl)methyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(5-nitroindazol-1-yl)methyl]piperidine-4-carboxylate CAS Name: 1-[(5-nitro-1-indazolyl)methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(5-nitroindazol-1-yl)methyl]piperidine-4-carboxylate Traditional Name: 1-[(5-nitroindazol-1-yl)methyl]isonipecotic acid ethyl ester Formula: C16H20N4O4 MolecularWeight: 332.3544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)CN2C3=C(C=C(C=C3)[N+](=O)[O-])C=N2

Isomeric SMILES

CCOC(=O)C1CCN(CC1)CN2C3=C(C=C(C=C3)[N+](=O)[O-])C=N2

InChI

InChI=1S/C16H20N4O4/c1-2-24-16(21)12-5-7-18(8-6-12)11-19-15-4-3-14(20(22)23)9-13(15)10-17-19/h3-4,9-10,12H,2,5-8,11H2,1H3