(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 4-(3-bromanylphenoxy)butanoate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 4-(3-bromanylphenoxy)butanoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 4-(3-bromophenoxy)butanoate CAS Name: 4-(3-bromophenoxy)butanoic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 4-(3-bromophenoxy)butanoate Traditional Name: 4-(3-bromophenoxy)butyric acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C18H16BrN3O4 MolecularWeight: 418.24134

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(N=N2)COC(=O)CCCOC3=CC(=CC=C3)Br

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(N=N2)COC(=O)CCCOC3=CC(=CC=C3)Br

InChI

InChI=1S/C18H16BrN3O4/c19-13-5-3-6-14(11-13)25-10-4-9-17(23)26-12-22-18(24)15-7-1-2-8-16(15)20-21-22/h1-3,5-8,11H,4,9-10,12H2