2-(3,5-ditert-butylphenyl)-5-(3-methyl-4-nitro-phenyl)-1,3,4-oxadiazole

Systemtic Name: 2-(3,5-ditert-butylphenyl)-5-(3-methyl-4-nitro-phenyl)-1,3,4-oxadiazole Openeye Name: 2-(3,5-ditert-butylphenyl)-5-(3-methyl-4-nitro-phenyl)-1,3,4-oxadiazole CAS Name: 2-(3,5-ditert-butylphenyl)-5-(3-methyl-4-nitrophenyl)-1,3,4-oxadiazole IUPAC Name: 2-(3,5-ditert-butylphenyl)-5-(3-methyl-4-nitrophenyl)-1,3,4-oxadiazole Traditional Name: 2-(3,5-ditert-butylphenyl)-5-(3-methyl-4-nitro-phenyl)-1,3,4-oxadiazole Formula: C23H27N3O3 MolecularWeight: 393.47878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=NN=C(O2)C3=CC(=CC(=C3)C(C)(C)C)C(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C2=NN=C(O2)C3=CC(=CC(=C3)C(C)(C)C)C(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C23H27N3O3/c1-14-10-15(8-9-19(14)26(27)28)20-24-25-21(29-20)16-11-17(22(2,3)4)13-18(12-16)23(5,6)7/h8-13H,1-7H3