7-(5-azanyl-4-ethoxycarbonyl-pyrazol-1-yl)-1-ethyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-(5-azanyl-4-ethoxycarbonyl-pyrazol-1-yl)-1-ethyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-(5-amino-4-ethoxycarbonyl-pyrazol-1-yl)-1-ethyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-(5-amino-4-ethoxycarbonyl-1-pyrazolyl)-1-ethyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-(5-amino-4-ethoxycarbonylpyrazol-1-yl)-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-(5-amino-4-carbethoxy-pyrazol-1-yl)-1-ethyl-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C18H17FN4O5 MolecularWeight: 388.349783

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3C(=C(C=N3)C(=O)OCC)N)F)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3C(=C(C=N3)C(=O)OCC)N)F)C(=O)O

InChI

InChI=1S/C18H17FN4O5/c1-3-22-8-11(17(25)26)15(24)9-5-12(19)14(6-13(9)22)23-16(20)10(7-21-23)18(27)28-4-2/h5-8H,3-4,20H2,1-2H3,(H,25,26)