(5-bromanyl-2-methoxy-phenyl)methyl 3-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)propanoate

Systemtic Name: (5-bromanyl-2-methoxy-phenyl)methyl 3-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)propanoate Openeye Name: (5-bromo-2-methoxy-phenyl)methyl 3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoate CAS Name: 3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoic acid (5-bromo-2-methoxyphenyl)methyl ester IUPAC Name: (5-bromo-2-methoxyphenyl)methyl 3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoate Traditional Name: 3-(4-keto-1,2,3-benzotriazin-3-yl)propionic acid (5-bromo-2-methoxy-benzyl) ester Formula: C18H16BrN3O4 MolecularWeight: 418.24134

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)COC(=O)CCN2C(=O)C3=CC=CC=C3N=N2

Isomeric SMILES

COC1=C(C=C(C=C1)Br)COC(=O)CCN2C(=O)C3=CC=CC=C3N=N2

InChI

InChI=1S/C18H16BrN3O4/c1-25-16-7-6-13(19)10-12(16)11-26-17(23)8-9-22-18(24)14-4-2-3-5-15(14)20-21-22/h2-7,10H,8-9,11H2,1H3