[(2R)-1-[(4-fluoranyl-3-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] quinoline-2-carboxylate

Systemtic Name: [(2R)-1-[(4-fluoranyl-3-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] quinoline-2-carboxylate Openeye Name: [(1R)-2-(4-fluoro-3-nitro-anilino)-1-methyl-2-oxo-ethyl] quinoline-2-carboxylate CAS Name: 2-quinolinecarboxylic acid [(2R)-1-(4-fluoro-3-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-fluoro-3-nitroanilino)-1-oxopropan-2-yl] quinoline-2-carboxylate Traditional Name: quinaldic acid [(1R)-2-(4-fluoro-3-nitro-anilino)-2-keto-1-methyl-ethyl] ester Formula: C19H14FN3O5 MolecularWeight: 383.329963

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)F)[N+](=O)[O-])OC(=O)C2=NC3=CC=CC=C3C=C2

Isomeric SMILES

C[C@H](C(=O)NC1=CC(=C(C=C1)F)[N+](=O)[O-])OC(=O)C2=NC3=CC=CC=C3C=C2

InChI

InChI=1S/C19H14FN3O5/c1-11(18(24)21-13-7-8-14(20)17(10-13)23(26)27)28-19(25)16-9-6-12-4-2-3-5-15(12)22-16/h2-11H,1H3,(H,21,24)/t11-/m1/s1