1-[5-azanyl-2,4-bis(fluoranyl)phenyl]-6-methyl-7-(methylamino)-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-[5-azanyl-2,4-bis(fluoranyl)phenyl]-6-methyl-7-(methylamino)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-(5-amino-2,4-difluoro-phenyl)-6-methyl-7-(methylamino)-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-(5-amino-2,4-difluorophenyl)-6-methyl-7-(methylamino)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-(5-amino-2,4-difluorophenyl)-6-methyl-7-(methylamino)-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-(5-amino-2,4-difluoro-phenyl)-4-keto-6-methyl-7-(methylamino)quinoline-3-carboxylic acid Formula: C18H15F2N3O3 MolecularWeight: 359.326806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=O)C(=CN2C3=CC(=C(C=C3F)F)N)C(=O)O)NC

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=O)C(=CN2C3=CC(=C(C=C3F)F)N)C(=O)O)NC

InChI

InChI=1S/C18H15F2N3O3/c1-8-3-9-15(6-14(8)22-2)23(7-10(17(9)24)18(25)26)16-5-13(21)11(19)4-12(16)20/h3-7,22H,21H2,1-2H3,(H,25,26)