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

Systemtic Name: (5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl 3-nitro-4-piperidin-1-yl-benzoate Openeye Name: [5-(2-thienyl)-1,3,4-oxadiazol-2-yl]methyl 3-nitro-4-(1-piperidyl)benzoate CAS Name: 3-nitro-4-(1-piperidinyl)benzoic acid (5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl ester IUPAC Name: (5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl 3-nitro-4-piperidin-1-ylbenzoate Traditional Name: 3-nitro-4-piperidino-benzoic acid [5-(2-thienyl)-1,3,4-oxadiazol-2-yl]methyl ester Formula: C19H18N4O5S MolecularWeight: 414.43502

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC3=NN=C(O3)C4=CC=CS4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC3=NN=C(O3)C4=CC=CS4)[N+](=O)[O-]

InChI

InChI=1S/C19H18N4O5S/c24-19(27-12-17-20-21-18(28-17)16-5-4-10-29-16)13-6-7-14(15(11-13)23(25)26)22-8-2-1-3-9-22/h4-7,10-11H,1-3,8-9,12H2