[2-[(2-fluoranyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate

Systemtic Name: [2-[(2-fluoranyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate Openeye Name: [2-(2-fluoro-5-nitro-anilino)-2-oxo-ethyl] 3,5-dimethylisoxazole-4-carboxylate CAS Name: 3,5-dimethyl-4-isoxazolecarboxylic acid [2-(2-fluoro-5-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-fluoro-5-nitroanilino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate Traditional Name: 3,5-dimethylisoxazole-4-carboxylic acid [2-(2-fluoro-5-nitro-anilino)-2-keto-ethyl] ester Formula: C14H12FN3O6 MolecularWeight: 337.259983

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)C(=O)OCC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])F

Isomeric SMILES

CC1=C(C(=NO1)C)C(=O)OCC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])F

InChI

InChI=1S/C14H12FN3O6/c1-7-13(8(2)24-17-7)14(20)23-6-12(19)16-11-5-9(18(21)22)3-4-10(11)15/h3-5H,6H2,1-2H3,(H,16,19)