(2-bromanyl-4,5-diethoxy-phenyl)methyl 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: (2-bromanyl-4,5-diethoxy-phenyl)methyl 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: (2-bromo-4,5-diethoxy-phenyl)methyl 3-methyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-methyl-4-oxo-1-phthalazinecarboxylic acid (2-bromo-4,5-diethoxyphenyl)methyl ester IUPAC Name: (2-bromo-4,5-diethoxyphenyl)methyl 3-methyl-4-oxophthalazine-1-carboxylate Traditional Name: 4-keto-3-methyl-phthalazine-1-carboxylic acid (2-bromo-4,5-diethoxy-benzyl) ester Formula: C21H21BrN2O5 MolecularWeight: 461.30584

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)COC(=O)C2=NN(C(=O)C3=CC=CC=C32)C)Br)OCC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)COC(=O)C2=NN(C(=O)C3=CC=CC=C32)C)Br)OCC

InChI

InChI=1S/C21H21BrN2O5/c1-4-27-17-10-13(16(22)11-18(17)28-5-2)12-29-21(26)19-14-8-6-7-9-15(14)20(25)24(3)23-19/h6-11H,4-5,12H2,1-3H3