(Z)-4-(4-bromanyl-2-fluoranyl-phenyl)-2-oxidanylidene-3-quinolin-2-yl-but-3-enoic acid

Systemtic Name: (Z)-4-(4-bromanyl-2-fluoranyl-phenyl)-2-oxidanylidene-3-quinolin-2-yl-but-3-enoic acid Openeye Name: (Z)-4-(4-bromo-2-fluoro-phenyl)-2-oxo-3-(2-quinolyl)but-3-enoic acid CAS Name: (Z)-4-(4-bromo-2-fluorophenyl)-2-oxo-3-(2-quinolinyl)-3-butenoic acid IUPAC Name: (Z)-4-(4-bromo-2-fluorophenyl)-2-oxo-3-quinolin-2-ylbut-3-enoic acid Traditional Name: (Z)-4-(4-bromo-2-fluoro-phenyl)-2-keto-3-(2-quinolyl)but-3-enoic acid Formula: C19H11BrFNO3 MolecularWeight: 400.197943

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=N2)C(=CC3=C(C=C(C=C3)Br)F)C(=O)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=N2)/C(=C/C3=C(C=C(C=C3)Br)F)/C(=O)C(=O)O

InChI

InChI=1S/C19H11BrFNO3/c20-13-7-5-12(15(21)10-13)9-14(18(23)19(24)25)17-8-6-11-3-1-2-4-16(11)22-17/h1-10H,(H,24,25)/b14-9-