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

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 3-phenyladamantane-1-carboxylate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 3-phenyladamantane-1-carboxylate CAS Name: 3-phenyl-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-phenyladamantane-1-carboxylate Traditional Name: 3-phenyladamantane-1-carboxylic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C25H25N3O3 MolecularWeight: 415.4843

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)C(=O)OCN4C(=O)C5=CC=CC=C5N=N4)C6=CC=CC=C6

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)C(=O)OCN4C(=O)C5=CC=CC=C5N=N4)C6=CC=CC=C6

InChI

InChI=1S/C25H25N3O3/c29-22-20-8-4-5-9-21(20)26-27-28(22)16-31-23(30)25-13-17-10-18(14-25)12-24(11-17,15-25)19-6-2-1-3-7-19/h1-9,17-18H,10-16H2