[(2R)-1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(3-methyl-4-propan-2-yl-phenoxy)ethanoate

Systemtic Name: [(2R)-1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(3-methyl-4-propan-2-yl-phenoxy)ethanoate Openeye Name: [(1R)-1-methyl-2-(2-nitroanilino)-2-oxo-ethyl] 2-(4-isopropyl-3-methyl-phenoxy)acetate CAS Name: 2-(3-methyl-4-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-(3-methyl-4-propan-2-ylphenoxy)acetate Traditional Name: 2-(4-isopropyl-3-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=CC(=C1)OCC(=O)OC(C)C(=O)NC2=CC=CC=C2[N+](=O)[O-])C(C)C

Isomeric SMILES

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

InChI

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