(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 4-(3-methylpiperidin-1-yl)-3-nitro-benzoate

Systemtic Name: (3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 4-(3-methylpiperidin-1-yl)-3-nitro-benzoate Openeye Name: (3-isopropyl-1,2,4-oxadiazol-5-yl)methyl 4-(3-methyl-1-piperidyl)-3-nitro-benzoate CAS Name: 4-(3-methyl-1-piperidinyl)-3-nitrobenzoic acid (3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl ester IUPAC Name: (3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 4-(3-methylpiperidin-1-yl)-3-nitrobenzoate Traditional Name: 4-(3-methylpiperidino)-3-nitro-benzoic acid (3-isopropyl-1,2,4-oxadiazol-5-yl)methyl ester Formula: C19H24N4O5 MolecularWeight: 388.41766

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)OCC3=NC(=NO3)C(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)OCC3=NC(=NO3)C(C)C)[N+](=O)[O-]

InChI

InChI=1S/C19H24N4O5/c1-12(2)18-20-17(28-21-18)11-27-19(24)14-6-7-15(16(9-14)23(25)26)22-8-4-5-13(3)10-22/h6-7,9,12-13H,4-5,8,10-11H2,1-3H3