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

Systemtic Name: 1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 4-(3-methylpiperidin-1-yl)-3-nitro-benzoate Openeye Name: 1-[3-(3-pyridyl)-1,2,4-oxadiazol-5-yl]ethyl 4-(3-methyl-1-piperidyl)-3-nitro-benzoate CAS Name: 4-(3-methyl-1-piperidinyl)-3-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 4-(3-methylpiperidin-1-yl)-3-nitrobenzoate Traditional Name: 4-(3-methylpiperidino)-3-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:

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)OC(C)C3=NC(=NO3)C4=CN=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)OC(C)C3=NC(=NO3)C4=CN=CC=C4)[N+](=O)[O-]

InChI

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