(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 3-oxidanyladamantane-1-carboxylate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 3-oxidanyladamantane-1-carboxylate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 3-hydroxyadamantane-1-carboxylate CAS Name: 3-hydroxy-1-adamantanecarboxylic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 3-hydroxyadamantane-1-carboxylate Traditional Name: 3-hydroxyadamantane-1-carboxylic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C19H21N3O4 MolecularWeight: 355.38774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)O)C(=O)OCN4C(=O)C5=CC=CC=C5N=N4

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)O)C(=O)OCN4C(=O)C5=CC=CC=C5N=N4

InChI

InChI=1S/C19H21N3O4/c23-16-14-3-1-2-4-15(14)20-21-22(16)11-26-17(24)18-6-12-5-13(7-18)9-19(25,8-12)10-18/h1-4,12-13,25H,5-11H2