3-[6-(1,2,4-triazol-1-yl)-1,3-benzoxazol-2-yl]benzoic acid

Systemtic Name: 3-[6-(1,2,4-triazol-1-yl)-1,3-benzoxazol-2-yl]benzoic acid Openeye Name: 3-[6-(1,2,4-triazol-1-yl)-1,3-benzoxazol-2-yl]benzoic acid CAS Name: 3-[6-(1,2,4-triazol-1-yl)-1,3-benzoxazol-2-yl]benzoic acid IUPAC Name: 3-[6-(1,2,4-triazol-1-yl)-1,3-benzoxazol-2-yl]benzoic acid Traditional Name: 3-[6-(1,2,4-triazol-1-yl)-1,3-benzoxazol-2-yl]benzoic acid Formula: C16H10N4O3 MolecularWeight: 306.2756

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(=O)O)C2=NC3=C(O2)C=C(C=C3)N4C=NC=N4

Isomeric SMILES

C1=CC(=CC(=C1)C(=O)O)C2=NC3=C(O2)C=C(C=C3)N4C=NC=N4

InChI

InChI=1S/C16H10N4O3/c21-16(22)11-3-1-2-10(6-11)15-19-13-5-4-12(7-14(13)23-15)20-9-17-8-18-20/h1-9H,(H,21,22)