1-ethyl-6,8-bis(fluoranyl)-7-(4-nitro-1,3-dihydroisoindol-2-yl)-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-ethyl-6,8-bis(fluoranyl)-7-(4-nitro-1,3-dihydroisoindol-2-yl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-ethyl-6,8-difluoro-7-(4-nitroisoindolin-2-yl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-ethyl-6,8-difluoro-7-(4-nitro-1,3-dihydroisoindol-2-yl)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-ethyl-6,8-difluoro-7-(4-nitro-1,3-dihydroisoindol-2-yl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-ethyl-6,8-difluoro-4-keto-7-(4-nitroisoindolin-2-yl)quinoline-3-carboxylic acid Formula: C20H15F2N3O5 MolecularWeight: 415.347006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H15F2N3O5/c1-2-23-9-13(20(27)28)19(26)11-6-14(21)18(16(22)17(11)23)24-7-10-4-3-5-15(25(29)30)12(10)8-24/h3-6,9H,2,7-8H2,1H3,(H,27,28)