[2-[(4,5-dimethyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(4-fluoranylphenoxy)-2-methyl-propanoate

Systemtic Name: [2-[(4,5-dimethyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(4-fluoranylphenoxy)-2-methyl-propanoate Openeye Name: [2-(4,5-dimethyl-2-nitro-anilino)-2-oxo-ethyl] 2-(4-fluorophenoxy)-2-methyl-propanoate CAS Name: 2-(4-fluorophenoxy)-2-methylpropanoic acid [2-(4,5-dimethyl-2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4,5-dimethyl-2-nitroanilino)-2-oxoethyl] 2-(4-fluorophenoxy)-2-methylpropanoate Traditional Name: 2-(4-fluorophenoxy)-2-methyl-propionic acid [2-(4,5-dimethyl-2-nitro-anilino)-2-keto-ethyl] ester Formula: C20H21FN2O6 MolecularWeight: 404.388943

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)COC(=O)C(C)(C)OC2=CC=C(C=C2)F

Isomeric SMILES

CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)COC(=O)C(C)(C)OC2=CC=C(C=C2)F

InChI

InChI=1S/C20H21FN2O6/c1-12-9-16(17(23(26)27)10-13(12)2)22-18(24)11-28-19(25)20(3,4)29-15-7-5-14(21)6-8-15/h5-10H,11H2,1-4H3,(H,22,24)