1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 2-(4-methylpiperidin-1-yl)-5-nitro-benzoate

Systemtic Name: 1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 2-(4-methylpiperidin-1-yl)-5-nitro-benzoate Openeye Name: 1-[3-(3-pyridyl)-1,2,4-oxadiazol-5-yl]ethyl 2-(4-methyl-1-piperidyl)-5-nitro-benzoate CAS Name: 2-(4-methyl-1-piperidinyl)-5-nitrobenzoic acid 1-[3-(3-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl ester IUPAC Name: 1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 2-(4-methylpiperidin-1-yl)-5-nitrobenzoate Traditional Name: 2-(4-methylpiperidino)-5-nitro-benzoic acid 1-[3-(3-pyridyl)-1,2,4-oxadiazol-5-yl]ethyl ester Formula: C22H23N5O5 MolecularWeight: 437.44852

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OC(C)C3=NC(=NO3)C4=CN=CC=C4

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OC(C)C3=NC(=NO3)C4=CN=CC=C4

InChI

InChI=1S/C22H23N5O5/c1-14-7-10-26(11-8-14)19-6-5-17(27(29)30)12-18(19)22(28)31-15(2)21-24-20(25-32-21)16-4-3-9-23-13-16/h3-6,9,12-15H,7-8,10-11H2,1-2H3