5-azanyl-1-cyclopropyl-6-fluoranyl-8-methoxy-4-oxidanylidene-7-(2-phenylazanylethylamino)quinoline-3-carboxylic acid

Systemtic Name: 5-azanyl-1-cyclopropyl-6-fluoranyl-8-methoxy-4-oxidanylidene-7-(2-phenylazanylethylamino)quinoline-3-carboxylic acid Openeye Name: 5-amino-7-(2-anilinoethylamino)-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-quinoline-3-carboxylic acid CAS Name: 5-amino-7-(2-anilinoethylamino)-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 5-amino-7-(2-anilinoethylamino)-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid Traditional Name: 5-amino-7-(2-anilinoethylamino)-1-cyclopropyl-6-fluoro-4-keto-8-methoxy-quinoline-3-carboxylic acid Formula: C22H23FN4O4 MolecularWeight: 426.440823

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C2=C1N(C=C(C2=O)C(=O)O)C3CC3)N)F)NCCNC4=CC=CC=C4

Isomeric SMILES

COC1=C(C(=C(C2=C1N(C=C(C2=O)C(=O)O)C3CC3)N)F)NCCNC4=CC=CC=C4

InChI

InChI=1S/C22H23FN4O4/c1-31-21-18(26-10-9-25-12-5-3-2-4-6-12)16(23)17(24)15-19(21)27(13-7-8-13)11-14(20(15)28)22(29)30/h2-6,11,13,25-26H,7-10,24H2,1H3,(H,29,30)