[2-oxidanylidene-2-(2,4,6-trimethylphenyl)ethyl] 2-(2-hydroxyethylamino)-5-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-(2,4,6-trimethylphenyl)ethyl] 2-(2-hydroxyethylamino)-5-nitro-benzoate Openeye Name: [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 2-(2-hydroxyethylamino)-5-nitro-benzoate CAS Name: 2-(2-hydroxyethylamino)-5-nitrobenzoic acid [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 2-(2-hydroxyethylamino)-5-nitrobenzoate Traditional Name: 2-(2-hydroxyethylamino)-5-nitro-benzoic acid (2-keto-2-mesityl-ethyl) ester Formula: C20H22N2O6 MolecularWeight: 386.39848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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