7-(3-azanylpyrrolidin-1-yl)-6-fluoranyl-1-[(E)-2-fluoranylethenyl]-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-(3-azanylpyrrolidin-1-yl)-6-fluoranyl-1-[(E)-2-fluoranylethenyl]-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-(3-aminopyrrolidin-1-yl)-6-fluoro-1-[(E)-2-fluorovinyl]-8-methoxy-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-(3-amino-1-pyrrolidinyl)-6-fluoro-1-[(E)-2-fluoroethenyl]-8-methoxy-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-(3-aminopyrrolidin-1-yl)-6-fluoro-1-[(E)-2-fluoroethenyl]-8-methoxy-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-(3-aminopyrrolidino)-6-fluoro-1-[(E)-2-fluorovinyl]-4-keto-8-methoxy-quinoline-3-carboxylic acid Formula: C17H17F2N3O4 MolecularWeight: 365.331386

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=CC(=C1N3CCC(C3)N)F)C(=O)C(=CN2C=CF)C(=O)O

Isomeric SMILES

COC1=C2C(=CC(=C1N3CCC(C3)N)F)C(=O)C(=CN2/C=C/F)C(=O)O

InChI

InChI=1S/C17H17F2N3O4/c1-26-16-13-10(6-12(19)14(16)21-4-2-9(20)7-21)15(23)11(17(24)25)8-22(13)5-3-18/h3,5-6,8-9H,2,4,7,20H2,1H3,(H,24,25)/b5-3+