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

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 3-(4-methoxyphenyl)adamantane-1-carboxylate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 3-(4-methoxyphenyl)adamantane-1-carboxylate CAS Name: 3-(4-methoxyphenyl)-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-(4-methoxyphenyl)adamantane-1-carboxylate Traditional Name: 3-(4-methoxyphenyl)adamantane-1-carboxylic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C26H27N3O4 MolecularWeight: 445.51028

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C(=O)OCN5C(=O)C6=CC=CC=C6N=N5

Isomeric SMILES

COC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C(=O)OCN5C(=O)C6=CC=CC=C6N=N5

InChI

InChI=1S/C26H27N3O4/c1-32-20-8-6-19(7-9-20)25-11-17-10-18(12-25)14-26(13-17,15-25)24(31)33-16-29-23(30)21-4-2-3-5-22(21)27-28-29/h2-9,17-18H,10-16H2,1H3