[2-[(2,3-dimethyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(2-methyl-5-propan-2-yl-phenoxy)ethanoate

Systemtic Name: [2-[(2,3-dimethyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(2-methyl-5-propan-2-yl-phenoxy)ethanoate Openeye Name: [2-(2,3-dimethyl-6-nitro-anilino)-2-oxo-ethyl] 2-(5-isopropyl-2-methyl-phenoxy)acetate CAS Name: 2-(2-methyl-5-propan-2-ylphenoxy)acetic acid [2-(2,3-dimethyl-6-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,3-dimethyl-6-nitroanilino)-2-oxoethyl] 2-(2-methyl-5-propan-2-ylphenoxy)acetate Traditional Name: 2-(5-isopropyl-2-methyl-phenoxy)acetic acid [2-(2,3-dimethyl-6-nitro-anilino)-2-keto-ethyl] ester Formula: C22H26N2O6 MolecularWeight: 414.45164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O6/c1-13(2)17-8-6-15(4)19(10-17)29-12-21(26)30-11-20(25)23-22-16(5)14(3)7-9-18(22)24(27)28/h6-10,13H,11-12H2,1-5H3,(H,23,25)