5-(5-phenyl-1H-1,2,4-triazol-3-yl)-2-benzofuran-1,3-dione

Systemtic Name: 5-(5-phenyl-1H-1,2,4-triazol-3-yl)-2-benzofuran-1,3-dione Openeye Name: 5-(5-phenyl-1H-1,2,4-triazol-3-yl)isobenzofuran-1,3-dione CAS Name: 5-(5-phenyl-1H-1,2,4-triazol-3-yl)isobenzofuran-1,3-dione IUPAC Name: 5-(5-phenyl-1H-1,2,4-triazol-3-yl)-2-benzofuran-1,3-dione Traditional Name: 5-(5-phenyl-1H-1,2,4-triazol-3-yl)phthalan-1,3-quinone Formula: C16H9N3O3 MolecularWeight: 291.26096

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=NN2)C3=CC4=C(C=C3)C(=O)OC4=O

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=NN2)C3=CC4=C(C=C3)C(=O)OC4=O

InChI

InChI=1S/C16H9N3O3/c20-15-11-7-6-10(8-12(11)16(21)22-15)14-17-13(18-19-14)9-4-2-1-3-5-9/h1-8H,(H,17,18,19)