[1-[(2-chloranyl-4-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(3,5-dimethylphenoxy)ethanoate

Systemtic Name: [1-[(2-chloranyl-4-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(3,5-dimethylphenoxy)ethanoate Openeye Name: [2-(2-chloro-4-nitro-anilino)-1-methyl-2-oxo-ethyl] 2-(3,5-dimethylphenoxy)acetate CAS Name: 2-(3,5-dimethylphenoxy)acetic acid [1-(2-chloro-4-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-chloro-4-nitroanilino)-1-oxopropan-2-yl] 2-(3,5-dimethylphenoxy)acetate Traditional Name: 2-(3,5-dimethylphenoxy)acetic acid [2-(2-chloro-4-nitro-anilino)-2-keto-1-methyl-ethyl] ester Formula: C19H19ClN2O6 MolecularWeight: 406.81696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19ClN2O6/c1-11-6-12(2)8-15(7-11)27-10-18(23)28-13(3)19(24)21-17-5-4-14(22(25)26)9-16(17)20/h4-9,13H,10H2,1-3H3,(H,21,24)