1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl 3-nitro-4-pyrrolidin-1-yl-benzoate

Systemtic Name: 1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl 3-nitro-4-pyrrolidin-1-yl-benzoate Openeye Name: 1-[5-(2-thienyl)-1,3,4-oxadiazol-2-yl]ethyl 3-nitro-4-pyrrolidin-1-yl-benzoate CAS Name: 3-nitro-4-(1-pyrrolidinyl)benzoic acid 1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl ester IUPAC Name: 1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl 3-nitro-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-nitro-4-pyrrolidino-benzoic acid 1-[5-(2-thienyl)-1,3,4-oxadiazol-2-yl]ethyl ester Formula: C19H18N4O5S MolecularWeight: 414.43502

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NN=C(O1)C2=CC=CS2)OC(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-]

Isomeric SMILES

CC(C1=NN=C(O1)C2=CC=CS2)OC(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-]

InChI

InChI=1S/C19H18N4O5S/c1-12(17-20-21-18(28-17)16-5-4-10-29-16)27-19(24)13-6-7-14(15(11-13)23(25)26)22-8-2-3-9-22/h4-7,10-12H,2-3,8-9H2,1H3