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

Systemtic Name: 7-(4-azanylbut-1-ynyl)-1-cyclopropyl-6,8-bis(fluoranyl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-(4-aminobut-1-ynyl)-1-cyclopropyl-6,8-difluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-(4-aminobut-1-ynyl)-1-cyclopropyl-6,8-difluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-(4-aminobut-1-ynyl)-1-cyclopropyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-(4-aminobut-1-ynyl)-1-cyclopropyl-6,8-difluoro-4-keto-quinoline-3-carboxylic acid Formula: C17H14F2N2O3 MolecularWeight: 332.301466

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=CC(=C(C(=C32)F)C#CCCN)F)C(=O)O

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=CC(=C(C(=C32)F)C#CCCN)F)C(=O)O

InChI

InChI=1S/C17H14F2N2O3/c18-13-7-11-15(14(19)10(13)3-1-2-6-20)21(9-4-5-9)8-12(16(11)22)17(23)24/h7-9H,2,4-6,20H2,(H,23,24)