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

Systemtic Name: [2-[(4-fluoranyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxylate Openeye Name: [2-(4-fluoro-3-nitro-anilino)-2-oxo-ethyl] 5-isopropyl-3-methyl-isoxazole-4-carboxylate CAS Name: 3-methyl-5-propan-2-yl-4-isoxazolecarboxylic acid [2-(4-fluoro-3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-fluoro-3-nitroanilino)-2-oxoethyl] 3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxylate Traditional Name: 5-isopropyl-3-methyl-isoxazole-4-carboxylic acid [2-(4-fluoro-3-nitro-anilino)-2-keto-ethyl] ester Formula: C16H16FN3O6 MolecularWeight: 365.313143

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1C(=O)OCC(=O)NC2=CC(=C(C=C2)F)[N+](=O)[O-])C(C)C

Isomeric SMILES

CC1=NOC(=C1C(=O)OCC(=O)NC2=CC(=C(C=C2)F)[N+](=O)[O-])C(C)C

InChI

InChI=1S/C16H16FN3O6/c1-8(2)15-14(9(3)19-26-15)16(22)25-7-13(21)18-10-4-5-11(17)12(6-10)20(23)24/h4-6,8H,7H2,1-3H3,(H,18,21)