(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 9-oxidanylidenebicyclo[3.3.1]nonane-3-carboxylate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 9-oxidanylidenebicyclo[3.3.1]nonane-3-carboxylate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 9-oxobicyclo[3.3.1]nonane-3-carboxylate CAS Name: 9-oxo-3-bicyclo[3.3.1]nonanecarboxylic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 9-oxobicyclo[3.3.1]nonane-3-carboxylate Traditional Name: 9-ketobicyclo[3.3.1]nonane-3-carboxylic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C18H19N3O4 MolecularWeight: 341.36116

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2CC(CC(C1)C2=O)C(=O)OCN3C(=O)C4=CC=CC=C4N=N3

Isomeric SMILES

C1CC2CC(CC(C1)C2=O)C(=O)OCN3C(=O)C4=CC=CC=C4N=N3

InChI

InChI=1S/C18H19N3O4/c22-16-11-4-3-5-12(16)9-13(8-11)18(24)25-10-21-17(23)14-6-1-2-7-15(14)19-20-21/h1-2,6-7,11-13H,3-5,8-10H2