(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl (5S,7R)-3-chloranyladamantane-1-carboxylate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl (5S,7R)-3-chloranyladamantane-1-carboxylate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl (5S,7R)-3-chloroadamantane-1-carboxylate CAS Name: (5S,7R)-3-chloro-1-adamantanecarboxylic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl (5S,7R)-3-chloroadamantane-1-carboxylate Traditional Name: (5S,7R)-3-chloroadamantane-1-carboxylic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C19H20ClN3O3 MolecularWeight: 373.8334

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)Cl)C(=O)OCN4C(=O)C5=CC=CC=C5N=N4

InChI

InChI=1S/C19H20ClN3O3/c20-19-8-12-5-13(9-19)7-18(6-12,10-19)17(25)26-11-23-16(24)14-3-1-2-4-15(14)21-22-23/h1-4,12-13H,5-11H2/t12-,13+,18?,19?