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

Systemtic Name: (3-methyl-1,2,4-oxadiazol-5-yl)methyl 5-nitro-2-piperidin-1-yl-benzoate Openeye Name: (3-methyl-1,2,4-oxadiazol-5-yl)methyl 5-nitro-2-(1-piperidyl)benzoate CAS Name: 5-nitro-2-(1-piperidinyl)benzoic acid (3-methyl-1,2,4-oxadiazol-5-yl)methyl ester IUPAC Name: (3-methyl-1,2,4-oxadiazol-5-yl)methyl 5-nitro-2-piperidin-1-ylbenzoate Traditional Name: 5-nitro-2-piperidino-benzoic acid (3-methyl-1,2,4-oxadiazol-5-yl)methyl ester Formula: C16H18N4O5 MolecularWeight: 346.33792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=N1)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCCC3

Isomeric SMILES

CC1=NOC(=N1)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCCC3

InChI

InChI=1S/C16H18N4O5/c1-11-17-15(25-18-11)10-24-16(21)13-9-12(20(22)23)5-6-14(13)19-7-3-2-4-8-19/h5-6,9H,2-4,7-8,10H2,1H3