2-[3-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-4-oxidanylidene-4aH-phthalazin-3-ium-1-yl]ethanoic acid

Systemtic Name: 2-[3-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-4-oxidanylidene-4aH-phthalazin-3-ium-1-yl]ethanoic acid Openeye Name: 2-[3-[(4-bromo-2-fluoro-phenyl)methyl]-4-oxo-4aH-phthalazin-3-ium-1-yl]acetic acid CAS Name: 2-[3-[(4-bromo-2-fluorophenyl)methyl]-4-oxo-4aH-phthalazin-3-ium-1-yl]acetic acid IUPAC Name: 2-[3-[(4-bromo-2-fluorophenyl)methyl]-4-oxo-4aH-phthalazin-3-ium-1-yl]acetic acid Traditional Name: 2-[3-(4-bromo-2-fluoro-benzyl)-4-keto-4aH-phthalazin-3-ium-1-yl]acetic acid Formula: C17H13BrFN2O3+ MolecularWeight: 392.199123

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2C(=C(N=[N+](C2=O)CC3=C(C=C(C=C3)Br)F)CC(=O)O)C=C1

Isomeric SMILES

C1=CC2C(=C(N=[N+](C2=O)CC3=C(C=C(C=C3)Br)F)CC(=O)O)C=C1

InChI

InChI=1S/C17H12BrFN2O3/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/h1-7,13H,8-9H2/p+1