[2-[2-(2,4-dimethylphenoxy)ethylamino]-2-oxidanylidene-ethyl] 3-methyl-4-nitro-benzoate

Systemtic Name: [2-[2-(2,4-dimethylphenoxy)ethylamino]-2-oxidanylidene-ethyl] 3-methyl-4-nitro-benzoate Openeye Name: [2-[2-(2,4-dimethylphenoxy)ethylamino]-2-oxo-ethyl] 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid [2-[2-(2,4-dimethylphenoxy)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(2,4-dimethylphenoxy)ethylamino]-2-oxoethyl] 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid [2-[2-(2,4-dimethylphenoxy)ethylamino]-2-keto-ethyl] ester Formula: C20H22N2O6 MolecularWeight: 386.39848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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