2-(3,5-ditert-butylphenyl)-5-[(4-methyl-2-nitro-phenoxy)methyl]-1,3,4-oxadiazole

Systemtic Name: 2-(3,5-ditert-butylphenyl)-5-[(4-methyl-2-nitro-phenoxy)methyl]-1,3,4-oxadiazole Openeye Name: 2-(3,5-ditert-butylphenyl)-5-[(4-methyl-2-nitro-phenoxy)methyl]-1,3,4-oxadiazole CAS Name: 2-(3,5-ditert-butylphenyl)-5-[(4-methyl-2-nitrophenoxy)methyl]-1,3,4-oxadiazole IUPAC Name: 2-(3,5-ditert-butylphenyl)-5-[(4-methyl-2-nitrophenoxy)methyl]-1,3,4-oxadiazole Traditional Name: 2-(3,5-ditert-butylphenyl)-5-[(4-methyl-2-nitro-phenoxy)methyl]-1,3,4-oxadiazole Formula: C24H29N3O4 MolecularWeight: 423.50476

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29N3O4/c1-15-8-9-20(19(10-15)27(28)29)30-14-21-25-26-22(31-21)16-11-17(23(2,3)4)13-18(12-16)24(5,6)7/h8-13H,14H2,1-7H3