[(2R)-1-(4-ethylphenyl)-1-oxidanylidene-propan-2-yl] 2-[(3-nitrophenyl)carbonylamino]ethanoate

Systemtic Name: [(2R)-1-(4-ethylphenyl)-1-oxidanylidene-propan-2-yl] 2-[(3-nitrophenyl)carbonylamino]ethanoate Openeye Name: [(1R)-2-(4-ethylphenyl)-1-methyl-2-oxo-ethyl] 2-[(3-nitrobenzoyl)amino]acetate CAS Name: 2-[[(3-nitrophenyl)-oxomethyl]amino]acetic acid [(2R)-1-(4-ethylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 2-[(3-nitrobenzoyl)amino]acetate Traditional Name: 2-[(3-nitrobenzoyl)amino]acetic acid [(1R)-2-(4-ethylphenyl)-2-keto-1-methyl-ethyl] ester Formula: C20H20N2O6 MolecularWeight: 384.3826

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)C(C)OC(=O)CNC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)[C@@H](C)OC(=O)CNC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H20N2O6/c1-3-14-7-9-15(10-8-14)19(24)13(2)28-18(23)12-21-20(25)16-5-4-6-17(11-16)22(26)27/h4-11,13H,3,12H2,1-2H3,(H,21,25)/t13-/m1/s1