[2-[(2-methyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-(2,5-dimethylphenoxy)propanoate

Systemtic Name: [2-[(2-methyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-(2,5-dimethylphenoxy)propanoate Openeye Name: [2-(2-methyl-5-nitro-anilino)-2-oxo-ethyl] 3-(2,5-dimethylphenoxy)propanoate CAS Name: 3-(2,5-dimethylphenoxy)propanoic acid [2-(2-methyl-5-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-5-nitroanilino)-2-oxoethyl] 3-(2,5-dimethylphenoxy)propanoate Traditional Name: 3-(2,5-dimethylphenoxy)propionic acid [2-keto-2-(2-methyl-5-nitro-anilino)ethyl] ester Formula: C20H22N2O6 MolecularWeight: 386.39848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O6/c1-13-4-5-15(3)18(10-13)27-9-8-20(24)28-12-19(23)21-17-11-16(22(25)26)7-6-14(17)2/h4-7,10-11H,8-9,12H2,1-3H3,(H,21,23)