1-[(3-aminocarbonylphenyl)methyl]-5,8-bis(fluoranyl)-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-[(3-aminocarbonylphenyl)methyl]-5,8-bis(fluoranyl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-[(3-carbamoylphenyl)methyl]-5,8-difluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-[(3-carbamoylphenyl)methyl]-5,8-difluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-[(3-carbamoylphenyl)methyl]-5,8-difluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-(3-carbamoylbenzyl)-5,8-difluoro-4-keto-quinoline-3-carboxylic acid Formula: C18H12F2N2O4 MolecularWeight: 358.295686

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CN2C=C(C(=O)C3=C(C=CC(=C32)F)F)C(=O)O)C(=O)N

Isomeric SMILES

C1=CC(=CC(=C1)CN2C=C(C(=O)C3=C(C=CC(=C32)F)F)C(=O)O)C(=O)N

InChI

InChI=1S/C18H12F2N2O4/c19-12-4-5-13(20)15-14(12)16(23)11(18(25)26)8-22(15)7-9-2-1-3-10(6-9)17(21)24/h1-6,8H,7H2,(H2,21,24)(H,25,26)