5-azanyl-7-(3-azanylpyrrolidin-1-yl)-1-ethyl-6,8-bis(fluoranyl)-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 5-azanyl-7-(3-azanylpyrrolidin-1-yl)-1-ethyl-6,8-bis(fluoranyl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 5-amino-7-(3-aminopyrrolidin-1-yl)-1-ethyl-6,8-difluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 5-amino-7-(3-amino-1-pyrrolidinyl)-1-ethyl-6,8-difluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 5-amino-7-(3-aminopyrrolidin-1-yl)-1-ethyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 5-amino-7-(3-aminopyrrolidino)-1-ethyl-6,8-difluoro-4-keto-quinoline-3-carboxylic acid Formula: C16H18F2N4O3 MolecularWeight: 352.335926

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=C1C(=C(C(=C2N)F)N3CCC(C3)N)F)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=C1C(=C(C(=C2N)F)N3CCC(C3)N)F)C(=O)O

InChI

InChI=1S/C16H18F2N4O3/c1-2-21-6-8(16(24)25)15(23)9-12(20)10(17)14(11(18)13(9)21)22-4-3-7(19)5-22/h6-7H,2-5,19-20H2,1H3,(H,24,25)