(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 2-(3-bromanyl-1-adamantyl)ethanoate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 2-(3-bromanyl-1-adamantyl)ethanoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-(3-bromo-1-adamantyl)acetate CAS Name: 2-(3-bromo-1-adamantyl)acetic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-(3-bromo-1-adamantyl)acetate Traditional Name: 2-(3-bromo-1-adamantyl)acetic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C20H22BrN3O3 MolecularWeight: 432.31098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22BrN3O3/c21-20-8-13-5-14(9-20)7-19(6-13,11-20)10-17(25)27-12-24-18(26)15-3-1-2-4-16(15)22-23-24/h1-4,13-14H,5-12H2