(4-iodophenyl) 3-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)propanoate

Systemtic Name: (4-iodophenyl) 3-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)propanoate Openeye Name: (4-iodophenyl) 3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoate CAS Name: 3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoic acid (4-iodophenyl) ester IUPAC Name: (4-iodophenyl) 3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoate Traditional Name: 3-(4-keto-1,2,3-benzotriazin-3-yl)propionic acid (4-iodophenyl) ester Formula: C16H12IN3O3 MolecularWeight: 421.18925

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(N=N2)CCC(=O)OC3=CC=C(C=C3)I

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(N=N2)CCC(=O)OC3=CC=C(C=C3)I

InChI

InChI=1S/C16H12IN3O3/c17-11-5-7-12(8-6-11)23-15(21)9-10-20-16(22)13-3-1-2-4-14(13)18-19-20/h1-8H,9-10H2