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

Systemtic Name: 1-[(carboxycarbonylamino)methyl]-7-[(3-chloranyl-2-fluoranyl-phenyl)methyl]-4-oxidanylidene-quinolizine-3-carboxylic acid Openeye Name: 7-[(3-chloro-2-fluoro-phenyl)methyl]-1-[(oxaloamino)methyl]-4-oxo-quinolizine-3-carboxylic acid CAS Name: 7-[(3-chloro-2-fluorophenyl)methyl]-1-[(oxaloamino)methyl]-4-oxo-3-quinolizinecarboxylic acid IUPAC Name: 7-[(3-chloro-2-fluorophenyl)methyl]-1-[(oxaloamino)methyl]-4-oxoquinolizine-3-carboxylic acid Traditional Name: 7-(3-chloro-2-fluoro-benzyl)-4-keto-1-[(oxaloamino)methyl]quinolizine-3-carboxylic acid Formula: C20H14ClFN2O6 MolecularWeight: 432.786363

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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)C(=O)O)C=C2

Isomeric SMILES

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

InChI

InChI=1S/C20H14ClFN2O6/c21-14-3-1-2-11(16(14)22)6-10-4-5-15-12(8-23-17(25)20(29)30)7-13(19(27)28)18(26)24(15)9-10/h1-5,7,9H,6,8H2,(H,23,25)(H,27,28)(H,29,30)