pyridin-2-ylmethyl 2-(4-methylpiperidin-1-yl)-5-nitro-benzoate

Systemtic Name: pyridin-2-ylmethyl 2-(4-methylpiperidin-1-yl)-5-nitro-benzoate Openeye Name: 2-pyridylmethyl 2-(4-methyl-1-piperidyl)-5-nitro-benzoate CAS Name: 2-(4-methyl-1-piperidinyl)-5-nitrobenzoic acid 2-pyridinylmethyl ester IUPAC Name: pyridin-2-ylmethyl 2-(4-methylpiperidin-1-yl)-5-nitrobenzoate Traditional Name: 2-(4-methylpiperidino)-5-nitro-benzoic acid 2-pyridylmethyl ester Formula: C19H21N3O4 MolecularWeight: 355.38774

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC3=CC=CC=N3

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC3=CC=CC=N3

InChI

InChI=1S/C19H21N3O4/c1-14-7-10-21(11-8-14)18-6-5-16(22(24)25)12-17(18)19(23)26-13-15-4-2-3-9-20-15/h2-6,9,12,14H,7-8,10-11,13H2,1H3