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

Systemtic Name: 1-cyclopropyl-6,8-bis(fluoranyl)-7-(4-nitro-1,3-dihydroisoindol-2-yl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-6,8-difluoro-7-(4-nitroisoindolin-2-yl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-6,8-difluoro-7-(4-nitro-1,3-dihydroisoindol-2-yl)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-6,8-difluoro-7-(4-nitro-1,3-dihydroisoindol-2-yl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-6,8-difluoro-4-keto-7-(4-nitroisoindolin-2-yl)quinoline-3-carboxylic acid Formula: C21H15F2N3O5 MolecularWeight: 427.357706

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=CC(=C(C(=C32)F)N4CC5=C(C4)C(=CC=C5)[N+](=O)[O-])F)C(=O)O

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=CC(=C(C(=C32)F)N4CC5=C(C4)C(=CC=C5)[N+](=O)[O-])F)C(=O)O

InChI

InChI=1S/C21H15F2N3O5/c22-15-6-12-18(25(11-4-5-11)9-14(20(12)27)21(28)29)17(23)19(15)24-7-10-2-1-3-16(26(30)31)13(10)8-24/h1-3,6,9,11H,4-5,7-8H2,(H,28,29)