4-(3-bromanyl-4-fluoranyl-phenyl)-2-methyl-5-oxidanylidene-1,4,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxylic acid

Systemtic Name: 4-(3-bromanyl-4-fluoranyl-phenyl)-2-methyl-5-oxidanylidene-1,4,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxylic acid Openeye Name: 4-(3-bromo-4-fluoro-phenyl)-2-methyl-5-oxo-1,4,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxylic acid CAS Name: 4-(3-bromo-4-fluorophenyl)-2-methyl-5-oxo-1,4,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxylic acid IUPAC Name: 4-(3-bromo-4-fluorophenyl)-2-methyl-5-oxo-1,4,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxylic acid Traditional Name: 4-(3-bromo-4-fluoro-phenyl)-5-keto-2-methyl-1,4,6,7-tetrahydro-1-pyrindine-3-carboxylic acid Formula: C16H13BrFNO3 MolecularWeight: 366.181723

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2=C(N1)CCC2=O)C3=CC(=C(C=C3)F)Br)C(=O)O

Isomeric SMILES

CC1=C(C(C2=C(N1)CCC2=O)C3=CC(=C(C=C3)F)Br)C(=O)O

InChI

InChI=1S/C16H13BrFNO3/c1-7-13(16(21)22)14(8-2-3-10(18)9(17)6-8)15-11(19-7)4-5-12(15)20/h2-3,6,14,19H,4-5H2,1H3,(H,21,22)