[1-(1-adamantyl)-1-oxidanylidene-propan-2-yl] 3-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)propanoate

Systemtic Name: [1-(1-adamantyl)-1-oxidanylidene-propan-2-yl] 3-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)propanoate Openeye Name: [2-(1-adamantyl)-1-methyl-2-oxo-ethyl] 3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoate CAS Name: 3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoic acid [1-(1-adamantyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1-adamantyl)-1-oxopropan-2-yl] 3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoate Traditional Name: 3-(4-keto-1,2,3-benzotriazin-3-yl)propionic acid [2-(1-adamantyl)-2-keto-1-methyl-ethyl] ester Formula: C23H27N3O4 MolecularWeight: 409.47818

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C12CC3CC(C1)CC(C3)C2)OC(=O)CCN4C(=O)C5=CC=CC=C5N=N4

Isomeric SMILES

CC(C(=O)C12CC3CC(C1)CC(C3)C2)OC(=O)CCN4C(=O)C5=CC=CC=C5N=N4

InChI

InChI=1S/C23H27N3O4/c1-14(21(28)23-11-15-8-16(12-23)10-17(9-15)13-23)30-20(27)6-7-26-22(29)18-4-2-3-5-19(18)24-25-26/h2-5,14-17H,6-13H2,1H3