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

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl adamantane-2-carboxylate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl adamantane-2-carboxylate CAS Name: 2-adamantanecarboxylic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl adamantane-2-carboxylate Traditional Name: adamantane-2-carboxylic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C19H21N3O3 MolecularWeight: 339.38834

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3C(=O)OCN4C(=O)C5=CC=CC=C5N=N4

Isomeric SMILES

C1C2CC3CC1CC(C2)C3C(=O)OCN4C(=O)C5=CC=CC=C5N=N4

InChI

InChI=1S/C19H21N3O3/c23-18-15-3-1-2-4-16(15)20-21-22(18)10-25-19(24)17-13-6-11-5-12(8-13)9-14(17)7-11/h1-4,11-14,17H,5-10H2