2-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-1,3-bis(oxidanylidene)-4H-isoquinoline-4-carboxylic acid

Systemtic Name: 2-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-1,3-bis(oxidanylidene)-4H-isoquinoline-4-carboxylic acid Openeye Name: 2-[(4-bromo-2-fluoro-phenyl)methyl]-1,3-dioxo-4H-isoquinoline-4-carboxylic acid CAS Name: 2-[(4-bromo-2-fluorophenyl)methyl]-1,3-dioxo-4H-isoquinoline-4-carboxylic acid IUPAC Name: 2-[(4-bromo-2-fluorophenyl)methyl]-1,3-dioxo-4H-isoquinoline-4-carboxylic acid Traditional Name: 2-(4-bromo-2-fluoro-benzyl)-1,3-diketo-4H-isoquinoline-4-carboxylic acid Formula: C17H11BrFNO4 MolecularWeight: 392.175943

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(C(=O)N(C2=O)CC3=C(C=C(C=C3)Br)F)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(C(=O)N(C2=O)CC3=C(C=C(C=C3)Br)F)C(=O)O

InChI

InChI=1S/C17H11BrFNO4/c18-10-6-5-9(13(19)7-10)8-20-15(21)12-4-2-1-3-11(12)14(16(20)22)17(23)24/h1-7,14H,8H2,(H,23,24)