3-[(2-bromanyl-4,5-diethoxy-phenyl)methyl]-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-[(2-bromanyl-4,5-diethoxy-phenyl)methyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[(2-bromo-4,5-diethoxy-phenyl)methyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[(2-bromo-4,5-diethoxyphenyl)methyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[(2-bromo-4,5-diethoxyphenyl)methyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-(2-bromo-4,5-diethoxy-benzyl)-4-keto-phthalazine-1-carboxylic acid Formula: C20H19BrN2O5 MolecularWeight: 447.27926

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O)Br)OCC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O)Br)OCC

InChI

InChI=1S/C20H19BrN2O5/c1-3-27-16-9-12(15(21)10-17(16)28-4-2)11-23-19(24)14-8-6-5-7-13(14)18(22-23)20(25)26/h5-10H,3-4,11H2,1-2H3,(H,25,26)