7-(3-azanyl-3-methyl-but-1-ynyl)-1-cyclopropyl-6,8-bis(fluoranyl)-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-(3-azanyl-3-methyl-but-1-ynyl)-1-cyclopropyl-6,8-bis(fluoranyl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-(3-amino-3-methyl-but-1-ynyl)-1-cyclopropyl-6,8-difluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-(3-amino-3-methylbut-1-ynyl)-1-cyclopropyl-6,8-difluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-(3-amino-3-methylbut-1-ynyl)-1-cyclopropyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-(3-amino-3-methyl-but-1-ynyl)-1-cyclopropyl-6,8-difluoro-4-keto-quinoline-3-carboxylic acid Formula: C18H16F2N2O3 MolecularWeight: 346.328046

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CC1=C(C=C2C(=C1F)N(C=C(C2=O)C(=O)O)C3CC3)F)N

Isomeric SMILES

CC(C)(C#CC1=C(C=C2C(=C1F)N(C=C(C2=O)C(=O)O)C3CC3)F)N

InChI

InChI=1S/C18H16F2N2O3/c1-18(2,21)6-5-10-13(19)7-11-15(14(10)20)22(9-3-4-9)8-12(16(11)23)17(24)25/h7-9H,3-4,21H2,1-2H3,(H,24,25)