[1-[(2-chloranyl-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(5-methyl-2-propan-2-yl-phenoxy)ethanoate

Systemtic Name: [1-[(2-chloranyl-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(5-methyl-2-propan-2-yl-phenoxy)ethanoate Openeye Name: [2-(2-chloro-5-nitro-anilino)-1-methyl-2-oxo-ethyl] 2-(2-isopropyl-5-methyl-phenoxy)acetate CAS Name: 2-(5-methyl-2-propan-2-ylphenoxy)acetic acid [1-(2-chloro-5-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-chloro-5-nitroanilino)-1-oxopropan-2-yl] 2-(5-methyl-2-propan-2-ylphenoxy)acetate Traditional Name: 2-(2-isopropyl-5-methyl-phenoxy)acetic acid [2-(2-chloro-5-nitro-anilino)-2-keto-1-methyl-ethyl] ester Formula: C21H23ClN2O6 MolecularWeight: 434.87012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClN2O6/c1-12(2)16-7-5-13(3)9-19(16)29-11-20(25)30-14(4)21(26)23-18-10-15(24(27)28)6-8-17(18)22/h5-10,12,14H,11H2,1-4H3,(H,23,26)