1-ethyl-6-fluoranyl-7-(4-nitro-1,3-dihydroisoindol-2-yl)-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-ethyl-6-fluoranyl-7-(4-nitro-1,3-dihydroisoindol-2-yl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-ethyl-6-fluoro-7-(4-nitroisoindolin-2-yl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-ethyl-6-fluoro-7-(4-nitro-1,3-dihydroisoindol-2-yl)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-ethyl-6-fluoro-7-(4-nitro-1,3-dihydroisoindol-2-yl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-ethyl-6-fluoro-4-keto-7-(4-nitroisoindolin-2-yl)quinoline-3-carboxylic acid Formula: C20H16FN3O5 MolecularWeight: 397.356543

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CC4=C(C3)C(=CC=C4)[N+](=O)[O-])F)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CC4=C(C3)C(=CC=C4)[N+](=O)[O-])F)C(=O)O

InChI

InChI=1S/C20H16FN3O5/c1-2-22-10-14(20(26)27)19(25)12-6-15(21)18(7-17(12)22)23-8-11-4-3-5-16(24(28)29)13(11)9-23/h3-7,10H,2,8-9H2,1H3,(H,26,27)