2-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-7-chloranyl-1,3-bis(oxidanylidene)-4H-isoquinoline-4-carboxylic acid

Systemtic Name: 2-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-7-chloranyl-1,3-bis(oxidanylidene)-4H-isoquinoline-4-carboxylic acid Openeye Name: 2-[(4-bromo-2-fluoro-phenyl)methyl]-7-chloro-1,3-dioxo-4H-isoquinoline-4-carboxylic acid CAS Name: 2-[(4-bromo-2-fluorophenyl)methyl]-7-chloro-1,3-dioxo-4H-isoquinoline-4-carboxylic acid IUPAC Name: 2-[(4-bromo-2-fluorophenyl)methyl]-7-chloro-1,3-dioxo-4H-isoquinoline-4-carboxylic acid Traditional Name: 2-(4-bromo-2-fluoro-benzyl)-7-chloro-1,3-diketo-4H-isoquinoline-4-carboxylic acid Formula: C17H10BrClFNO4 MolecularWeight: 426.621003

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Cl)C(=O)N(C(=O)C2C(=O)O)CC3=C(C=C(C=C3)Br)F

Isomeric SMILES

C1=CC2=C(C=C1Cl)C(=O)N(C(=O)C2C(=O)O)CC3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C17H10BrClFNO4/c18-9-2-1-8(13(20)5-9)7-21-15(22)12-6-10(19)3-4-11(12)14(16(21)23)17(24)25/h1-6,14H,7H2,(H,24,25)