(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl (3R)-3-acetamido-3-phenyl-propanoate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl (3R)-3-acetamido-3-phenyl-propanoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl (3R)-3-acetamido-3-phenyl-propanoate CAS Name: (3R)-3-acetamido-3-phenylpropanoic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl (3R)-3-acetamido-3-phenylpropanoate Traditional Name: (3R)-3-acetamido-3-phenyl-propionic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C19H18N4O4 MolecularWeight: 366.37062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N4O4/c1-13(24)20-17(14-7-3-2-4-8-14)11-18(25)27-12-23-19(26)15-9-5-6-10-16(15)21-22-23/h2-10,17H,11-12H2,1H3,(H,20,24)/t17-/m1/s1