methyl 3-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-7-fluoranyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: methyl 3-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-7-fluoranyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: methyl 3-[(4-bromo-2-fluoro-phenyl)methyl]-7-fluoro-4-oxo-phthalazine-1-carboxylate CAS Name: 3-[(4-bromo-2-fluorophenyl)methyl]-7-fluoro-4-oxo-1-phthalazinecarboxylic acid methyl ester IUPAC Name: methyl 3-[(4-bromo-2-fluorophenyl)methyl]-7-fluoro-4-oxophthalazine-1-carboxylate Traditional Name: 3-(4-bromo-2-fluoro-benzyl)-7-fluoro-4-keto-phthalazine-1-carboxylic acid methyl ester Formula: C17H11BrF2N2O3 MolecularWeight: 409.181646

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NN(C(=O)C2=C1C=C(C=C2)F)CC3=C(C=C(C=C3)Br)F

Isomeric SMILES

COC(=O)C1=NN(C(=O)C2=C1C=C(C=C2)F)CC3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C17H11BrF2N2O3/c1-25-17(24)15-13-7-11(19)4-5-12(13)16(23)22(21-15)8-9-2-3-10(18)6-14(9)20/h2-7H,8H2,1H3