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

Systemtic Name: (5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl 2-morpholin-4-yl-5-nitro-benzoate Openeye Name: [5-(2-thienyl)-1,3,4-oxadiazol-2-yl]methyl 2-morpholino-5-nitro-benzoate CAS Name: 2-(4-morpholinyl)-5-nitrobenzoic 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 2-morpholin-4-yl-5-nitrobenzoate Traditional Name: 2-morpholino-5-nitro-benzoic acid [5-(2-thienyl)-1,3,4-oxadiazol-2-yl]methyl ester Formula: C18H16N4O6S MolecularWeight: 416.40784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC3=NN=C(O3)C4=CC=CS4

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC3=NN=C(O3)C4=CC=CS4

InChI

InChI=1S/C18H16N4O6S/c23-18(27-11-16-19-20-17(28-16)15-2-1-9-29-15)13-10-12(22(24)25)3-4-14(13)21-5-7-26-8-6-21/h1-4,9-10H,5-8,11H2