[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl 4-(2-methylpropyl)benzoate

Systemtic Name: [5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl 4-(2-methylpropyl)benzoate Openeye Name: [5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl 4-isobutylbenzoate CAS Name: 4-(2-methylpropyl)benzoic acid [5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl ester IUPAC Name: [5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl 4-(2-methylpropyl)benzoate Traditional Name: 4-isobutylbenzoic acid [5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl ester Formula: C20H19N3O5 MolecularWeight: 381.38196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O5/c1-13(2)11-14-3-5-16(6-4-14)20(24)27-12-18-21-22-19(28-18)15-7-9-17(10-8-15)23(25)26/h3-10,13H,11-12H2,1-2H3