[2-oxidanylidene-2-(2,4,6-trimethylphenyl)ethyl] 3-[(4-nitrophenyl)carbonylamino]propanoate

Systemtic Name: [2-oxidanylidene-2-(2,4,6-trimethylphenyl)ethyl] 3-[(4-nitrophenyl)carbonylamino]propanoate Openeye Name: [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 3-[(4-nitrobenzoyl)amino]propanoate CAS Name: 3-[[(4-nitrophenyl)-oxomethyl]amino]propanoic acid [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 3-[(4-nitrobenzoyl)amino]propanoate Traditional Name: 3-[(4-nitrobenzoyl)amino]propionic acid (2-keto-2-mesityl-ethyl) ester Formula: C21H22N2O6 MolecularWeight: 398.40918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O6/c1-13-10-14(2)20(15(3)11-13)18(24)12-29-19(25)8-9-22-21(26)16-4-6-17(7-5-16)23(27)28/h4-7,10-11H,8-9,12H2,1-3H3,(H,22,26)