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

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 4-(5-bromanyl-2-methoxy-phenyl)-4-oxidanylidene-butanoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 4-(5-bromo-2-methoxy-phenyl)-4-oxo-butanoate CAS Name: 4-(5-bromo-2-methoxyphenyl)-4-oxobutanoic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 4-(5-bromo-2-methoxyphenyl)-4-oxobutanoate Traditional Name: 4-(5-bromo-2-methoxy-phenyl)-4-keto-butyric acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C19H16BrN3O5 MolecularWeight: 446.25144

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C(=O)CCC(=O)OCN2C(=O)C3=CC=CC=C3N=N2

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C(=O)CCC(=O)OCN2C(=O)C3=CC=CC=C3N=N2

InChI

InChI=1S/C19H16BrN3O5/c1-27-17-8-6-12(20)10-14(17)16(24)7-9-18(25)28-11-23-19(26)13-4-2-3-5-15(13)21-22-23/h2-6,8,10H,7,9,11H2,1H3