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

Systemtic Name: 7-[(3-chloranyl-2-fluoranyl-phenyl)methyl]-1-[(2-oxidanylethanoylamino)methyl]-4-oxidanylidene-quinolizine-3-carboxylic acid Openeye Name: 7-[(3-chloro-2-fluoro-phenyl)methyl]-1-[[(2-hydroxyacetyl)amino]methyl]-4-oxo-quinolizine-3-carboxylic acid CAS Name: 7-[(3-chloro-2-fluorophenyl)methyl]-1-[[(2-hydroxy-1-oxoethyl)amino]methyl]-4-oxo-3-quinolizinecarboxylic acid IUPAC Name: 7-[(3-chloro-2-fluorophenyl)methyl]-1-[[(2-hydroxyacetyl)amino]methyl]-4-oxoquinolizine-3-carboxylic acid Traditional Name: 7-(3-chloro-2-fluoro-benzyl)-1-[(glycoloylamino)methyl]-4-keto-quinolizine-3-carboxylic acid Formula: C20H16ClFN2O5 MolecularWeight: 418.802843

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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)CNC(=O)CO)C=C2

Isomeric SMILES

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

InChI

InChI=1S/C20H16ClFN2O5/c21-15-3-1-2-12(18(15)22)6-11-4-5-16-13(8-23-17(26)10-25)7-14(20(28)29)19(27)24(16)9-11/h1-5,7,9,25H,6,8,10H2,(H,23,26)(H,28,29)