[2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 2-(4-chloranyl-5-methyl-2-propan-2-yl-phenoxy)ethanoate

Systemtic Name: [2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 2-(4-chloranyl-5-methyl-2-propan-2-yl-phenoxy)ethanoate Openeye Name: [2-(4-methyl-3-nitro-phenyl)-2-oxo-ethyl] 2-(4-chloro-2-isopropyl-5-methyl-phenoxy)acetate CAS Name: 2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)acetic acid [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] 2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)acetate Traditional Name: 2-(4-chloro-2-isopropyl-5-methyl-phenoxy)acetic acid [2-keto-2-(4-methyl-3-nitro-phenyl)ethyl] ester Formula: C21H22ClNO6 MolecularWeight: 419.85548

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClNO6/c1-12(2)16-9-17(22)14(4)7-20(16)28-11-21(25)29-10-19(24)15-6-5-13(3)18(8-15)23(26)27/h5-9,12H,10-11H2,1-4H3