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

Systemtic Name: 7-[(3-chloranyl-2-fluoranyl-phenyl)methyl]-1-(hydroxymethyl)-4-oxidanylidene-quinolizine-3-carboxylic acid Openeye Name: 7-[(3-chloro-2-fluoro-phenyl)methyl]-1-(hydroxymethyl)-4-oxo-quinolizine-3-carboxylic acid CAS Name: 7-[(3-chloro-2-fluorophenyl)methyl]-1-(hydroxymethyl)-4-oxo-3-quinolizinecarboxylic acid IUPAC Name: 7-[(3-chloro-2-fluorophenyl)methyl]-1-(hydroxymethyl)-4-oxoquinolizine-3-carboxylic acid Traditional Name: 7-(3-chloro-2-fluoro-benzyl)-4-keto-1-methylol-quinolizine-3-carboxylic acid Formula: C18H13ClFNO4 MolecularWeight: 361.751523

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13ClFNO4/c19-14-3-1-2-11(16(14)20)6-10-4-5-15-12(9-22)7-13(18(24)25)17(23)21(15)8-10/h1-5,7-8,22H,6,9H2,(H,24,25)