(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 3-bromanyl-4-ethoxy-5-methoxy-benzoate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 3-bromanyl-4-ethoxy-5-methoxy-benzoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 3-bromo-4-ethoxy-5-methoxy-benzoate CAS Name: 3-bromo-4-ethoxy-5-methoxybenzoic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 3-bromo-4-ethoxy-5-methoxybenzoate Traditional Name: 3-bromo-4-ethoxy-5-methoxy-benzoic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C18H16BrN3O5 MolecularWeight: 434.24074

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Br)C(=O)OCN2C(=O)C3=CC=CC=C3N=N2)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Br)C(=O)OCN2C(=O)C3=CC=CC=C3N=N2)OC

InChI

InChI=1S/C18H16BrN3O5/c1-3-26-16-13(19)8-11(9-15(16)25-2)18(24)27-10-22-17(23)12-6-4-5-7-14(12)20-21-22/h4-9H,3,10H2,1-2H3