ethyl (3S)-1-[(6-nitroindazol-1-yl)methyl]piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-[(6-nitroindazol-1-yl)methyl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[(6-nitroindazol-1-yl)methyl]piperidine-3-carboxylate CAS Name: (3S)-1-[(6-nitro-1-indazolyl)methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[(6-nitroindazol-1-yl)methyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[(6-nitroindazol-1-yl)methyl]nipecotic acid ethyl ester Formula: C16H20N4O4 MolecularWeight: 332.3544

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)CN2C3=C(C=CC(=C3)[N+](=O)[O-])C=N2

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)CN2C3=C(C=CC(=C3)[N+](=O)[O-])C=N2

InChI

InChI=1S/C16H20N4O4/c1-2-24-16(21)13-4-3-7-18(10-13)11-19-15-8-14(20(22)23)6-5-12(15)9-17-19/h5-6,8-9,13H,2-4,7,10-11H2,1H3/t13-/m0/s1