sodium 2-[3-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-4-oxidanylidene-phthalazin-1-yl]ethanoate

Systemtic Name: sodium 2-[3-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-4-oxidanylidene-phthalazin-1-yl]ethanoate Openeye Name: sodium 2-[3-[(4-bromo-2-fluoro-phenyl)methyl]-4-oxo-phthalazin-1-yl]acetate CAS Name: sodium 2-[3-[(4-bromo-2-fluorophenyl)methyl]-4-oxo-1-phthalazinyl]acetate IUPAC Name: sodium 2-[3-[(4-bromo-2-fluorophenyl)methyl]-4-oxophthalazin-1-yl]acetate Traditional Name: sodium 2-[3-(4-bromo-2-fluoro-benzyl)-4-keto-phthalazin-1-yl]acetate Formula: C17H11BrFN2NaO3 MolecularWeight: 413.173013

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN(C2=O)CC3=C(C=C(C=C3)Br)F)CC(=O)[O-].[Na+]

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)CC3=C(C=C(C=C3)Br)F)CC(=O)[O-].[Na+]

InChI

InChI=1S/C17H12BrFN2O3.Na/c18-11-6-5-10(14(19)7-11)9-21-17(24)13-4-2-1-3-12(13)15(20-21)8-16(22)23;/h1-7H,8-9H2,(H,22,23);/q;+1/p-1