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

Systemtic Name: 1-acetamido-7-[(3-chloranyl-2-fluoranyl-phenyl)methyl]-4-oxidanylidene-quinolizine-3-carboxylic acid Openeye Name: 1-acetamido-7-[(3-chloro-2-fluoro-phenyl)methyl]-4-oxo-quinolizine-3-carboxylic acid CAS Name: 1-acetamido-7-[(3-chloro-2-fluorophenyl)methyl]-4-oxo-3-quinolizinecarboxylic acid IUPAC Name: 1-acetamido-7-[(3-chloro-2-fluorophenyl)methyl]-4-oxoquinolizine-3-carboxylic acid Traditional Name: 1-acetamido-7-(3-chloro-2-fluoro-benzyl)-4-keto-quinolizine-3-carboxylic acid Formula: C19H14ClFN2O4 MolecularWeight: 388.776863

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C2C=CC(=CN2C(=O)C(=C1)C(=O)O)CC3=C(C(=CC=C3)Cl)F

Isomeric SMILES

CC(=O)NC1=C2C=CC(=CN2C(=O)C(=C1)C(=O)O)CC3=C(C(=CC=C3)Cl)F

InChI

InChI=1S/C19H14ClFN2O4/c1-10(24)22-15-8-13(19(26)27)18(25)23-9-11(5-6-16(15)23)7-12-3-2-4-14(20)17(12)21/h2-6,8-9H,7H2,1H3,(H,22,24)(H,26,27)