3-[1-[4-(2-oxidanylideneazetidin-1-yl)phenyl]-1,2,4-triazol-3-yl]benzoic acid

Systemtic Name: 3-[1-[4-(2-oxidanylideneazetidin-1-yl)phenyl]-1,2,4-triazol-3-yl]benzoic acid Openeye Name: 3-[1-[4-(2-oxoazetidin-1-yl)phenyl]-1,2,4-triazol-3-yl]benzoic acid CAS Name: 3-[1-[4-(2-oxo-1-azetidinyl)phenyl]-1,2,4-triazol-3-yl]benzoic acid IUPAC Name: 3-[1-[4-(2-oxoazetidin-1-yl)phenyl]-1,2,4-triazol-3-yl]benzoic acid Traditional Name: 3-[1-[4-(2-ketoazetidin-1-yl)phenyl]-1,2,4-triazol-3-yl]benzoic acid Formula: C18H14N4O3 MolecularWeight: 334.32876

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C1=O)C2=CC=C(C=C2)N3C=NC(=N3)C4=CC(=CC=C4)C(=O)O

Isomeric SMILES

C1CN(C1=O)C2=CC=C(C=C2)N3C=NC(=N3)C4=CC(=CC=C4)C(=O)O

InChI

InChI=1S/C18H14N4O3/c23-16-8-9-21(16)14-4-6-15(7-5-14)22-11-19-17(20-22)12-2-1-3-13(10-12)18(24)25/h1-7,10-11H,8-9H2,(H,24,25)