[(2R)-1-[(4-fluoranyl-3-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2,3-dimethylquinoxaline-6-carboxylate

Systemtic Name: [(2R)-1-[(4-fluoranyl-3-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2,3-dimethylquinoxaline-6-carboxylate Openeye Name: [(1R)-2-(4-fluoro-3-nitro-anilino)-1-methyl-2-oxo-ethyl] 2,3-dimethylquinoxaline-6-carboxylate CAS Name: 2,3-dimethyl-6-quinoxalinecarboxylic acid [(2R)-1-(4-fluoro-3-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-fluoro-3-nitroanilino)-1-oxopropan-2-yl] 2,3-dimethylquinoxaline-6-carboxylate Traditional Name: 2,3-dimethylquinoxaline-6-carboxylic acid [(1R)-2-(4-fluoro-3-nitro-anilino)-2-keto-1-methyl-ethyl] ester Formula: C20H17FN4O5 MolecularWeight: 412.371183

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(C=C2)C(=O)OC(C)C(=O)NC3=CC(=C(C=C3)F)[N+](=O)[O-])N=C1C

Isomeric SMILES

CC1=NC2=C(C=C(C=C2)C(=O)O[C@H](C)C(=O)NC3=CC(=C(C=C3)F)[N+](=O)[O-])N=C1C

InChI

InChI=1S/C20H17FN4O5/c1-10-11(2)23-17-8-13(4-7-16(17)22-10)20(27)30-12(3)19(26)24-14-5-6-15(21)18(9-14)25(28)29/h4-9,12H,1-3H3,(H,24,26)/t12-/m1/s1