1-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]ethyl 3-benzamidobutanoate

Systemtic Name: 1-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]ethyl 3-benzamidobutanoate Openeye Name: 1-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]ethyl 3-benzamidobutanoate CAS Name: 3-benzamidobutanoic acid 1-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]ethyl ester IUPAC Name: 1-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]ethyl 3-benzamidobutanoate Traditional Name: 3-benzamidobutyric acid 1-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]ethyl ester Formula: C21H20N4O6 MolecularWeight: 424.4067

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N4O6/c1-13(22-19(27)15-6-4-3-5-7-15)12-18(26)30-14(2)20-23-24-21(31-20)16-8-10-17(11-9-16)25(28)29/h3-11,13-14H,12H2,1-2H3,(H,22,27)