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

Systemtic Name: 3-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-7-fluoranyl-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[(4-bromo-2-fluoro-phenyl)methyl]-7-fluoro-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[(4-bromo-2-fluorophenyl)methyl]-7-fluoro-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[(4-bromo-2-fluorophenyl)methyl]-7-fluoro-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-(4-bromo-2-fluoro-benzyl)-7-fluoro-4-keto-phthalazine-1-carboxylic acid Formula: C16H9BrF2N2O3 MolecularWeight: 395.155066

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1F)C(=NN(C2=O)CC3=C(C=C(C=C3)Br)F)C(=O)O

Isomeric SMILES

C1=CC2=C(C=C1F)C(=NN(C2=O)CC3=C(C=C(C=C3)Br)F)C(=O)O

InChI

InChI=1S/C16H9BrF2N2O3/c17-9-2-1-8(13(19)5-9)7-21-15(22)11-4-3-10(18)6-12(11)14(20-21)16(23)24/h1-6H,7H2,(H,23,24)