7-[(3-chloranyl-2-fluoranyl-phenyl)methyl]-1-ethyl-4-oxidanylidene-quinolizine-3-carboxylic acid

Systemtic Name: 7-[(3-chloranyl-2-fluoranyl-phenyl)methyl]-1-ethyl-4-oxidanylidene-quinolizine-3-carboxylic acid Openeye Name: 7-[(3-chloro-2-fluoro-phenyl)methyl]-1-ethyl-4-oxo-quinolizine-3-carboxylic acid CAS Name: 7-[(3-chloro-2-fluorophenyl)methyl]-1-ethyl-4-oxo-3-quinolizinecarboxylic acid IUPAC Name: 7-[(3-chloro-2-fluorophenyl)methyl]-1-ethyl-4-oxoquinolizine-3-carboxylic acid Traditional Name: 7-(3-chloro-2-fluoro-benzyl)-1-ethyl-4-keto-quinolizine-3-carboxylic acid Formula: C19H15ClFNO3 MolecularWeight: 359.778703

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C=CC(=CN2C(=O)C(=C1)C(=O)O)CC3=C(C(=CC=C3)Cl)F

Isomeric SMILES

CCC1=C2C=CC(=CN2C(=O)C(=C1)C(=O)O)CC3=C(C(=CC=C3)Cl)F

InChI

InChI=1S/C19H15ClFNO3/c1-2-12-9-14(19(24)25)18(23)22-10-11(6-7-16(12)22)8-13-4-3-5-15(20)17(13)21/h3-7,9-10H,2,8H2,1H3,(H,24,25)