[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl (2S)-2-benzamidopropanoate

Systemtic Name: [5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl (2S)-2-benzamidopropanoate Openeye Name: [5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl (2S)-2-benzamidopropanoate CAS Name: (2S)-2-benzamidopropanoic acid [5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl ester IUPAC Name: [5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl (2S)-2-benzamidopropanoate Traditional Name: (2S)-2-benzamidopropionic acid [5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl ester Formula: C19H16N4O6 MolecularWeight: 396.35354

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC1=NN=C(O1)C2=CC=C(C=C2)[N+](=O)[O-])NC(=O)C3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)OCC1=NN=C(O1)C2=CC=C(C=C2)[N+](=O)[O-])NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H16N4O6/c1-12(20-17(24)13-5-3-2-4-6-13)19(25)28-11-16-21-22-18(29-16)14-7-9-15(10-8-14)23(26)27/h2-10,12H,11H2,1H3,(H,20,24)/t12-/m0/s1