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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O3/c1-2-14(13-8-4-3-5-9-13)18(23)24-12-21-17(22)15-10-6-7-11-16(15)19-20-21/h3-11,14H,2,12H2,1H3/t14-/m1/s1