[2-[(2,3-dimethyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(4-chloranylphenoxy)-2-methyl-propanoate

Systemtic Name: [2-[(2,3-dimethyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(4-chloranylphenoxy)-2-methyl-propanoate Openeye Name: [2-(2,3-dimethyl-6-nitro-anilino)-2-oxo-ethyl] 2-(4-chlorophenoxy)-2-methyl-propanoate CAS Name: 2-(4-chlorophenoxy)-2-methylpropanoic acid [2-(2,3-dimethyl-6-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,3-dimethyl-6-nitroanilino)-2-oxoethyl] 2-(4-chlorophenoxy)-2-methylpropanoate Traditional Name: 2-(4-chlorophenoxy)-2-methyl-propionic acid [2-(2,3-dimethyl-6-nitro-anilino)-2-keto-ethyl] ester Formula: C20H21ClN2O6 MolecularWeight: 420.84354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)[N+](=O)[O-])NC(=O)COC(=O)C(C)(C)OC2=CC=C(C=C2)Cl)C

Isomeric SMILES

CC1=C(C(=C(C=C1)[N+](=O)[O-])NC(=O)COC(=O)C(C)(C)OC2=CC=C(C=C2)Cl)C

InChI

InChI=1S/C20H21ClN2O6/c1-12-5-10-16(23(26)27)18(13(12)2)22-17(24)11-28-19(25)20(3,4)29-15-8-6-14(21)7-9-15/h5-10H,11H2,1-4H3,(H,22,24)