[2-(3-nitrophenyl)-2-oxidanylidene-ethyl] 2-[(3,5-ditert-butylphenyl)carbonylamino]ethanoate

Systemtic Name: [2-(3-nitrophenyl)-2-oxidanylidene-ethyl] 2-[(3,5-ditert-butylphenyl)carbonylamino]ethanoate Openeye Name: [2-(3-nitrophenyl)-2-oxo-ethyl] 2-[(3,5-ditert-butylbenzoyl)amino]acetate CAS Name: 2-[[(3,5-ditert-butylphenyl)-oxomethyl]amino]acetic acid [2-(3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-nitrophenyl)-2-oxoethyl] 2-[(3,5-ditert-butylbenzoyl)amino]acetate Traditional Name: 2-[(3,5-ditert-butylbenzoyl)amino]acetic acid [2-keto-2-(3-nitrophenyl)ethyl] ester Formula: C25H30N2O6 MolecularWeight: 454.5155

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1)C(=O)NCC(=O)OCC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1)C(=O)NCC(=O)OCC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C(C)(C)C

InChI

InChI=1S/C25H30N2O6/c1-24(2,3)18-10-17(11-19(13-18)25(4,5)6)23(30)26-14-22(29)33-15-21(28)16-8-7-9-20(12-16)27(31)32/h7-13H,14-15H2,1-6H3,(H,26,30)