(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 2-benzamido-3-methyl-butanoate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 2-benzamido-3-methyl-butanoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-benzamido-3-methyl-butanoate CAS Name: 2-benzamido-3-methylbutanoic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-benzamido-3-methylbutanoate Traditional Name: 2-benzamido-3-methyl-butyric acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C20H20N4O4 MolecularWeight: 380.3972

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCN1C(=O)C2=CC=CC=C2N=N1)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)C(C(=O)OCN1C(=O)C2=CC=CC=C2N=N1)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H20N4O4/c1-13(2)17(21-18(25)14-8-4-3-5-9-14)20(27)28-12-24-19(26)15-10-6-7-11-16(15)22-23-24/h3-11,13,17H,12H2,1-2H3,(H,21,25)