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

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 3-bromanylpropanoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 3-bromopropanoate CAS Name: 3-bromopropanoic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 3-bromopropanoate Traditional Name: 3-bromopropionic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C11H10BrN3O3 MolecularWeight: 312.1194

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(N=N2)COC(=O)CCBr

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(N=N2)COC(=O)CCBr

InChI

InChI=1S/C11H10BrN3O3/c12-6-5-10(16)18-7-15-11(17)8-3-1-2-4-9(8)13-14-15/h1-4H,5-7H2