[(1R)-1-(4-nitrophenyl)-2-oxidanylidene-2-phenyl-ethyl] 2-[(3,5-ditert-butylphenyl)carbonylamino]ethanoate

Systemtic Name: [(1R)-1-(4-nitrophenyl)-2-oxidanylidene-2-phenyl-ethyl] 2-[(3,5-ditert-butylphenyl)carbonylamino]ethanoate Openeye Name: [(1R)-1-(4-nitrophenyl)-2-oxo-2-phenyl-ethyl] 2-[(3,5-ditert-butylbenzoyl)amino]acetate CAS Name: 2-[[(3,5-ditert-butylphenyl)-oxomethyl]amino]acetic acid [(1R)-1-(4-nitrophenyl)-2-oxo-2-phenylethyl] ester IUPAC Name: [(1R)-1-(4-nitrophenyl)-2-oxo-2-phenylethyl] 2-[(3,5-ditert-butylbenzoyl)amino]acetate Traditional Name: 2-[(3,5-ditert-butylbenzoyl)amino]acetic acid [(1R)-2-keto-1-(4-nitrophenyl)-2-phenyl-ethyl] ester Formula: C31H34N2O6 MolecularWeight: 530.61146

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1)C(=O)NCC(=O)OC(C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=CC=C3)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1)C(=O)NCC(=O)O[C@H](C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=CC=C3)C(C)(C)C

InChI

InChI=1S/C31H34N2O6/c1-30(2,3)23-16-22(17-24(18-23)31(4,5)6)29(36)32-19-26(34)39-28(27(35)20-10-8-7-9-11-20)21-12-14-25(15-13-21)33(37)38/h7-18,28H,19H2,1-6H3,(H,32,36)/t28-/m1/s1