(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-methyl-pentanoate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-methyl-pentanoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-(1,3-dioxoisoindolin-2-yl)-4-methyl-pentanoate CAS Name: 2-(1,3-dioxo-2-isoindolyl)-4-methylpentanoic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoate Traditional Name: 4-methyl-2-phthalimido-valeric acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C22H20N4O5 MolecularWeight: 420.418

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OCN1C(=O)C2=CC=CC=C2N=N1)N3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC(C)CC(C(=O)OCN1C(=O)C2=CC=CC=C2N=N1)N3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C22H20N4O5/c1-13(2)11-18(26-20(28)14-7-3-4-8-15(14)21(26)29)22(30)31-12-25-19(27)16-9-5-6-10-17(16)23-24-25/h3-10,13,18H,11-12H2,1-2H3