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

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl (2R)-2-(4-chlorophenyl)-3-methyl-butanoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl (2R)-2-(4-chlorophenyl)-3-methyl-butanoate CAS Name: (2R)-2-(4-chlorophenyl)-3-methylbutanoic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl (2R)-2-(4-chlorophenyl)-3-methylbutanoate Traditional Name: (2R)-2-(4-chlorophenyl)-3-methyl-butyric acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C19H18ClN3O3 MolecularWeight: 371.81752

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC=C(C=C1)Cl)C(=O)OCN2C(=O)C3=CC=CC=C3N=N2

Isomeric SMILES

CC(C)[C@H](C1=CC=C(C=C1)Cl)C(=O)OCN2C(=O)C3=CC=CC=C3N=N2

InChI

InChI=1S/C19H18ClN3O3/c1-12(2)17(13-7-9-14(20)10-8-13)19(25)26-11-23-18(24)15-5-3-4-6-16(15)21-22-23/h3-10,12,17H,11H2,1-2H3/t17-/m1/s1