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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(O1)COC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=NN=C(O1)COC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-]

InChI

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