[2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl] 2-[(3-nitrophenyl)carbonylamino]ethanoate

Systemtic Name: [2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl] 2-[(3-nitrophenyl)carbonylamino]ethanoate Openeye Name: [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 2-[(3-nitrobenzoyl)amino]acetate CAS Name: 2-[[(3-nitrophenyl)-oxomethyl]amino]acetic acid [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 2-[(3-nitrobenzoyl)amino]acetate Traditional Name: 2-[(3-nitrobenzoyl)amino]acetic acid [2-keto-2-(2,4,5-trimethylphenyl)ethyl] ester Formula: C20H20N2O6 MolecularWeight: 384.3826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)COC(=O)CNC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C)C

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)COC(=O)CNC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C)C

InChI

InChI=1S/C20H20N2O6/c1-12-7-14(3)17(8-13(12)2)18(23)11-28-19(24)10-21-20(25)15-5-4-6-16(9-15)22(26)27/h4-9H,10-11H2,1-3H3,(H,21,25)