[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl 2,4,6-trimethylbenzoate

Systemtic Name: [5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl 2,4,6-trimethylbenzoate Openeye Name: [5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl 2,4,6-trimethylbenzoate CAS Name: 2,4,6-trimethylbenzoic acid [5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl ester IUPAC Name: [5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl 2,4,6-trimethylbenzoate Traditional Name: 2,4,6-trimethylbenzoic acid [5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl ester Formula: C19H17N3O5 MolecularWeight: 367.35538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C(=O)OCC2=NN=C(O2)C3=CC=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C(=O)OCC2=NN=C(O2)C3=CC=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C19H17N3O5/c1-11-8-12(2)17(13(3)9-11)19(23)26-10-16-20-21-18(27-16)14-4-6-15(7-5-14)22(24)25/h4-9H,10H2,1-3H3