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

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl (3R)-3-phenylbutanoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl (3R)-3-phenylbutanoate CAS Name: (3R)-3-phenylbutanoic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl (3R)-3-phenylbutanoate Traditional Name: (3R)-3-phenylbutyric acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C18H17N3O3 MolecularWeight: 323.34588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H](CC(=O)OCN1C(=O)C2=CC=CC=C2N=N1)C3=CC=CC=C3

InChI

InChI=1S/C18H17N3O3/c1-13(14-7-3-2-4-8-14)11-17(22)24-12-21-18(23)15-9-5-6-10-16(15)19-20-21/h2-10,13H,11-12H2,1H3/t13-/m1/s1