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

Systemtic Name: 1-(acetamidomethyl)-7-[(3-chloranyl-2-fluoranyl-phenyl)methyl]-4-oxidanylidene-quinolizine-3-carboxylic acid Openeye Name: 1-(acetamidomethyl)-7-[(3-chloro-2-fluoro-phenyl)methyl]-4-oxo-quinolizine-3-carboxylic acid CAS Name: 1-(acetamidomethyl)-7-[(3-chloro-2-fluorophenyl)methyl]-4-oxo-3-quinolizinecarboxylic acid IUPAC Name: 1-(acetamidomethyl)-7-[(3-chloro-2-fluorophenyl)methyl]-4-oxoquinolizine-3-carboxylic acid Traditional Name: 1-(acetamidomethyl)-7-(3-chloro-2-fluoro-benzyl)-4-keto-quinolizine-3-carboxylic acid Formula: C20H16ClFN2O4 MolecularWeight: 402.803443

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC1=C2C=CC(=CN2C(=O)C(=C1)C(=O)O)CC3=C(C(=CC=C3)Cl)F

Isomeric SMILES

CC(=O)NCC1=C2C=CC(=CN2C(=O)C(=C1)C(=O)O)CC3=C(C(=CC=C3)Cl)F

InChI

InChI=1S/C20H16ClFN2O4/c1-11(25)23-9-14-8-15(20(27)28)19(26)24-10-12(5-6-17(14)24)7-13-3-2-4-16(21)18(13)22/h2-6,8,10H,7,9H2,1H3,(H,23,25)(H,27,28)