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

Systemtic Name: 3-(4-methylphenyl)-5-(2-phenylethynyl)-2,1-benzoxazole Openeye Name: 5-(2-phenylethynyl)-3-(p-tolyl)-2,1-benzoxazole CAS Name: 3-(4-methylphenyl)-5-(2-phenylethynyl)-2,1-benzoxazole IUPAC Name: 3-(4-methylphenyl)-5-(2-phenylethynyl)-2,1-benzoxazole Traditional Name: 5-(2-phenylethynyl)-3-(p-tolyl)anthranil Formula: C22H15NO MolecularWeight: 309.3606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C3C=C(C=CC3=NO2)C#CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=C3C=C(C=CC3=NO2)C#CC4=CC=CC=C4

InChI

InChI=1S/C22H15NO/c1-16-7-12-19(13-8-16)22-20-15-18(11-14-21(20)23-24-22)10-9-17-5-3-2-4-6-17/h2-8,11-15H,1H3