ditert-butyl 2-[2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)ethyl]propanedioate

Systemtic Name: ditert-butyl 2-[2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)ethyl]propanedioate Openeye Name: ditert-butyl 2-[2-(4-oxo-1,2,3-benzotriazin-3-yl)ethyl]propanedioate CAS Name: 2-[2-(4-oxo-1,2,3-benzotriazin-3-yl)ethyl]propanedioic acid ditert-butyl ester IUPAC Name: ditert-butyl 2-[2-(4-oxo-1,2,3-benzotriazin-3-yl)ethyl]propanedioate Traditional Name: 2-[2-(4-keto-1,2,3-benzotriazin-3-yl)ethyl]malonic acid ditert-butyl ester Formula: C20H27N3O5 MolecularWeight: 389.44548

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CCN1C(=O)C2=CC=CC=C2N=N1)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)C(CCN1C(=O)C2=CC=CC=C2N=N1)C(=O)OC(C)(C)C

InChI

InChI=1S/C20H27N3O5/c1-19(2,3)27-17(25)14(18(26)28-20(4,5)6)11-12-23-16(24)13-9-7-8-10-15(13)21-22-23/h7-10,14H,11-12H2,1-6H3