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

Systemtic Name: 7-[(3-chloranyl-2-fluoranyl-phenyl)methyl]-1-cyano-4-oxidanylidene-quinolizine-3-carboxylic acid Openeye Name: 7-[(3-chloro-2-fluoro-phenyl)methyl]-1-cyano-4-oxo-quinolizine-3-carboxylic acid CAS Name: 7-[(3-chloro-2-fluorophenyl)methyl]-1-cyano-4-oxo-3-quinolizinecarboxylic acid IUPAC Name: 7-[(3-chloro-2-fluorophenyl)methyl]-1-cyano-4-oxoquinolizine-3-carboxylic acid Traditional Name: 7-(3-chloro-2-fluoro-benzyl)-1-cyano-4-keto-quinolizine-3-carboxylic acid Formula: C18H10ClFN2O3 MolecularWeight: 356.735003

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)Cl)F)CC2=CN3C(=C(C=C(C3=O)C(=O)O)C#N)C=C2

Isomeric SMILES

C1=CC(=C(C(=C1)Cl)F)CC2=CN3C(=C(C=C(C3=O)C(=O)O)C#N)C=C2

InChI

InChI=1S/C18H10ClFN2O3/c19-14-3-1-2-11(16(14)20)6-10-4-5-15-12(8-21)7-13(18(24)25)17(23)22(15)9-10/h1-5,7,9H,6H2,(H,24,25)