[(2R)-1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(2-methyl-5-propan-2-yl-phenoxy)ethanoate

Systemtic Name: [(2R)-1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(2-methyl-5-propan-2-yl-phenoxy)ethanoate Openeye Name: [(1R)-1-methyl-2-(2-nitroanilino)-2-oxo-ethyl] 2-(5-isopropyl-2-methyl-phenoxy)acetate CAS Name: 2-(2-methyl-5-propan-2-ylphenoxy)acetic acid [(2R)-1-(2-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2-nitroanilino)-1-oxopropan-2-yl] 2-(2-methyl-5-propan-2-ylphenoxy)acetate Traditional Name: 2-(5-isopropyl-2-methyl-phenoxy)acetic acid [(1R)-2-keto-1-methyl-2-(2-nitroanilino)ethyl] ester Formula: C21H24N2O6 MolecularWeight: 400.42506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(C)C)OCC(=O)OC(C)C(=O)NC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(C)C)OCC(=O)O[C@H](C)C(=O)NC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C21H24N2O6/c1-13(2)16-10-9-14(3)19(11-16)28-12-20(24)29-15(4)21(25)22-17-7-5-6-8-18(17)23(26)27/h5-11,13,15H,12H2,1-4H3,(H,22,25)/t15-/m1/s1