[2-oxidanylidene-2-(4-propan-2-ylphenyl)ethyl] 2-[(4-methoxy-3-nitro-phenyl)carbonylamino]ethanoate

Systemtic Name: [2-oxidanylidene-2-(4-propan-2-ylphenyl)ethyl] 2-[(4-methoxy-3-nitro-phenyl)carbonylamino]ethanoate Openeye Name: [2-(4-isopropylphenyl)-2-oxo-ethyl] 2-[(4-methoxy-3-nitro-benzoyl)amino]acetate CAS Name: 2-[[(4-methoxy-3-nitrophenyl)-oxomethyl]amino]acetic acid [2-oxo-2-(4-propan-2-ylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(4-propan-2-ylphenyl)ethyl] 2-[(4-methoxy-3-nitrobenzoyl)amino]acetate Traditional Name: 2-[(4-methoxy-3-nitro-benzoyl)amino]acetic acid (2-keto-2-p-cumenyl-ethyl) ester Formula: C21H22N2O7 MolecularWeight: 414.40858

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(=O)COC(=O)CNC(=O)C2=CC(=C(C=C2)OC)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C(=O)COC(=O)CNC(=O)C2=CC(=C(C=C2)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H22N2O7/c1-13(2)14-4-6-15(7-5-14)18(24)12-30-20(25)11-22-21(26)16-8-9-19(29-3)17(10-16)23(27)28/h4-10,13H,11-12H2,1-3H3,(H,22,26)