(4-oxidanylidene-1,2,3-benzotriazin-3-yl) 3-phenylpropanoate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl) 3-phenylpropanoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl) 3-phenylpropanoate CAS Name: 3-phenylpropanoic acid (4-oxo-1,2,3-benzotriazin-3-yl) ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl) 3-phenylpropanoate Traditional Name: 3-phenylpropionic acid (4-keto-1,2,3-benzotriazin-3-yl) ester Formula: C16H13N3O3 MolecularWeight: 295.29272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(=O)ON2C(=O)C3=CC=CC=C3N=N2

Isomeric SMILES

C1=CC=C(C=C1)CCC(=O)ON2C(=O)C3=CC=CC=C3N=N2

InChI

InChI=1S/C16H13N3O3/c20-15(11-10-12-6-2-1-3-7-12)22-19-16(21)13-8-4-5-9-14(13)17-18-19/h1-9H,10-11H2