[2-[(4-fluoranyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(5-methylfuran-2-yl)quinoline-4-carboxylate

Systemtic Name: [2-[(4-fluoranyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(5-methylfuran-2-yl)quinoline-4-carboxylate Openeye Name: [2-(4-fluoro-2-nitro-anilino)-2-oxo-ethyl] 2-(5-methyl-2-furyl)quinoline-4-carboxylate CAS Name: 2-(5-methyl-2-furanyl)-4-quinolinecarboxylic acid [2-(4-fluoro-2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-fluoro-2-nitroanilino)-2-oxoethyl] 2-(5-methylfuran-2-yl)quinoline-4-carboxylate Traditional Name: 2-(5-methyl-2-furyl)cinchoninic acid [2-(4-fluoro-2-nitro-anilino)-2-keto-ethyl] ester Formula: C23H16FN3O6 MolecularWeight: 449.388043

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC(=O)NC4=C(C=C(C=C4)F)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(O1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC(=O)NC4=C(C=C(C=C4)F)[N+](=O)[O-]

InChI

InChI=1S/C23H16FN3O6/c1-13-6-9-21(33-13)19-11-16(15-4-2-3-5-17(15)25-19)23(29)32-12-22(28)26-18-8-7-14(24)10-20(18)27(30)31/h2-11H,12H2,1H3,(H,26,28)