4-(benzotriazol-1-yl)-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione

Systemtic Name: 4-(benzotriazol-1-yl)-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione Openeye Name: 4-(benzotriazol-1-yl)-3a,4,7,7a-tetrahydroisobenzofuran-1,3-dione CAS Name: 4-(1-benzotriazolyl)-3a,4,7,7a-tetrahydroisobenzofuran-1,3-dione IUPAC Name: 4-(benzotriazol-1-yl)-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione Traditional Name: 4-(benzotriazol-1-yl)-3a,4,7,7a-tetrahydroisobenzofuran-1,3-quinone Formula: C14H11N3O3 MolecularWeight: 269.25544

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC(C2C1C(=O)OC2=O)N3C4=CC=CC=C4N=N3

Isomeric SMILES

C1C=CC(C2C1C(=O)OC2=O)N3C4=CC=CC=C4N=N3

InChI

InChI=1S/C14H11N3O3/c18-13-8-4-3-7-11(12(8)14(19)20-13)17-10-6-2-1-5-9(10)15-16-17/h1-3,5-8,11-12H,4H2