pyridin-2-ylmethyl 4-(3-methylpiperidin-1-yl)-3-nitro-benzoate

Systemtic Name: pyridin-2-ylmethyl 4-(3-methylpiperidin-1-yl)-3-nitro-benzoate Openeye Name: 2-pyridylmethyl 4-(3-methyl-1-piperidyl)-3-nitro-benzoate CAS Name: 4-(3-methyl-1-piperidinyl)-3-nitrobenzoic acid 2-pyridinylmethyl ester IUPAC Name: pyridin-2-ylmethyl 4-(3-methylpiperidin-1-yl)-3-nitrobenzoate Traditional Name: 4-(3-methylpiperidino)-3-nitro-benzoic acid 2-pyridylmethyl ester Formula: C19H21N3O4 MolecularWeight: 355.38774

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)OCC3=CC=CC=N3)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)OCC3=CC=CC=N3)[N+](=O)[O-]

InChI

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