3-tert-butyl-5-[(4-chloranyl-2-nitro-phenoxy)methyl]-1,2,4-oxadiazole

Systemtic Name: 3-tert-butyl-5-[(4-chloranyl-2-nitro-phenoxy)methyl]-1,2,4-oxadiazole Openeye Name: 3-tert-butyl-5-[(4-chloro-2-nitro-phenoxy)methyl]-1,2,4-oxadiazole CAS Name: 3-tert-butyl-5-[(4-chloro-2-nitrophenoxy)methyl]-1,2,4-oxadiazole IUPAC Name: 3-tert-butyl-5-[(4-chloro-2-nitrophenoxy)methyl]-1,2,4-oxadiazole Traditional Name: 3-tert-butyl-5-[(4-chloro-2-nitro-phenoxy)methyl]-1,2,4-oxadiazole Formula: C13H14ClN3O4 MolecularWeight: 311.72096

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NOC(=N1)COC2=C(C=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=NOC(=N1)COC2=C(C=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C13H14ClN3O4/c1-13(2,3)12-15-11(21-16-12)7-20-10-5-4-8(14)6-9(10)17(18)19/h4-6H,7H2,1-3H3