5-tert-butyl-3-(2-chloranyl-4-isocyanato-phenyl)-1,3,4-oxadiazol-2-one

Systemtic Name: 5-tert-butyl-3-(2-chloranyl-4-isocyanato-phenyl)-1,3,4-oxadiazol-2-one Openeye Name: 5-tert-butyl-3-(2-chloro-4-isocyanato-phenyl)-1,3,4-oxadiazol-2-one CAS Name: 5-tert-butyl-3-(2-chloro-4-isocyanatophenyl)-1,3,4-oxadiazol-2-one IUPAC Name: 5-tert-butyl-3-(2-chloro-4-isocyanatophenyl)-1,3,4-oxadiazol-2-one Traditional Name: 5-tert-butyl-3-(2-chloro-4-isocyanato-phenyl)-1,3,4-oxadiazol-2-one Formula: C13H12ClN3O3 MolecularWeight: 293.70568

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=O)O1)C2=C(C=C(C=C2)N=C=O)Cl

Isomeric SMILES

CC(C)(C)C1=NN(C(=O)O1)C2=C(C=C(C=C2)N=C=O)Cl

InChI

InChI=1S/C13H12ClN3O3/c1-13(2,3)11-16-17(12(19)20-11)10-5-4-8(15-7-18)6-9(10)14/h4-6H,1-3H3