2-(2,6-dimethylphenoxy)ethyl 2-[(3-methyl-4-nitro-phenyl)carbonylamino]ethanoate

Systemtic Name: 2-(2,6-dimethylphenoxy)ethyl 2-[(3-methyl-4-nitro-phenyl)carbonylamino]ethanoate Openeye Name: 2-(2,6-dimethylphenoxy)ethyl 2-[(3-methyl-4-nitro-benzoyl)amino]acetate CAS Name: 2-[[(3-methyl-4-nitrophenyl)-oxomethyl]amino]acetic acid 2-(2,6-dimethylphenoxy)ethyl ester IUPAC Name: 2-(2,6-dimethylphenoxy)ethyl 2-[(3-methyl-4-nitrobenzoyl)amino]acetate Traditional Name: 2-[(3-methyl-4-nitro-benzoyl)amino]acetic acid 2-(2,6-dimethylphenoxy)ethyl ester Formula: C20H22N2O6 MolecularWeight: 386.39848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OCCOC(=O)CNC(=O)C2=CC(=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C(=CC=C1)C)OCCOC(=O)CNC(=O)C2=CC(=C(C=C2)[N+](=O)[O-])C

InChI

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