3-(4-chlorophenyl)-5-(2-phenylethynyl)-2,1-benzoxazole

Systemtic Name: 3-(4-chlorophenyl)-5-(2-phenylethynyl)-2,1-benzoxazole Openeye Name: 3-(4-chlorophenyl)-5-(2-phenylethynyl)-2,1-benzoxazole CAS Name: 3-(4-chlorophenyl)-5-(2-phenylethynyl)-2,1-benzoxazole IUPAC Name: 3-(4-chlorophenyl)-5-(2-phenylethynyl)-2,1-benzoxazole Traditional Name: 3-(4-chlorophenyl)-5-(2-phenylethynyl)anthranil Formula: C21H12ClNO MolecularWeight: 329.77908

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C#CC2=CC3=C(ON=C3C=C2)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)C#CC2=CC3=C(ON=C3C=C2)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H12ClNO/c22-18-11-9-17(10-12-18)21-19-14-16(8-13-20(19)23-24-21)7-6-15-4-2-1-3-5-15/h1-5,8-14H