[2-[(2-methyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(2-methyl-5-propan-2-yl-phenoxy)ethanoate

Systemtic Name: [2-[(2-methyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(2-methyl-5-propan-2-yl-phenoxy)ethanoate Openeye Name: [2-(2-methyl-6-nitro-anilino)-2-oxo-ethyl] 2-(5-isopropyl-2-methyl-phenoxy)acetate CAS Name: 2-(2-methyl-5-propan-2-ylphenoxy)acetic acid [2-(2-methyl-6-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-6-nitroanilino)-2-oxoethyl] 2-(2-methyl-5-propan-2-ylphenoxy)acetate Traditional Name: 2-(5-isopropyl-2-methyl-phenoxy)acetic acid [2-keto-2-(2-methyl-6-nitro-anilino)ethyl] ester Formula: C21H24N2O6 MolecularWeight: 400.42506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)[N+](=O)[O-])NC(=O)COC(=O)COC2=C(C=CC(=C2)C(C)C)C

Isomeric SMILES

CC1=C(C(=CC=C1)[N+](=O)[O-])NC(=O)COC(=O)COC2=C(C=CC(=C2)C(C)C)C

InChI

InChI=1S/C21H24N2O6/c1-13(2)16-9-8-14(3)18(10-16)28-12-20(25)29-11-19(24)22-21-15(4)6-5-7-17(21)23(26)27/h5-10,13H,11-12H2,1-4H3,(H,22,24)