2-[3-(3-phenyl-2,1-benzoxazol-5-yl)-1,2,3-triazol-4-yl]ethanoic acid

Systemtic Name: 2-[3-(3-phenyl-2,1-benzoxazol-5-yl)-1,2,3-triazol-4-yl]ethanoic acid Openeye Name: 2-[3-(3-phenyl-2,1-benzoxazol-5-yl)triazol-4-yl]acetic acid CAS Name: 2-[3-(3-phenyl-2,1-benzoxazol-5-yl)-4-triazolyl]acetic acid IUPAC Name: 2-[3-(3-phenyl-2,1-benzoxazol-5-yl)triazol-4-yl]acetic acid Traditional Name: 2-[3-(3-phenylanthranil-5-yl)triazol-4-yl]acetic acid Formula: C17H12N4O3 MolecularWeight: 320.30218

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C=C(C=CC3=NO2)N4C(=CN=N4)CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C=C(C=CC3=NO2)N4C(=CN=N4)CC(=O)O

InChI

InChI=1S/C17H12N4O3/c22-16(23)9-13-10-18-20-21(13)12-6-7-15-14(8-12)17(24-19-15)11-4-2-1-3-5-11/h1-8,10H,9H2,(H,22,23)