[(2R)-1-(4-methoxyphenyl)-1-oxidanylidene-propan-2-yl] (2S)-2-[(3-nitrophenyl)carbonylamino]propanoate

Systemtic Name: [(2R)-1-(4-methoxyphenyl)-1-oxidanylidene-propan-2-yl] (2S)-2-[(3-nitrophenyl)carbonylamino]propanoate Openeye Name: [(1R)-2-(4-methoxyphenyl)-1-methyl-2-oxo-ethyl] (2S)-2-[(3-nitrobenzoyl)amino]propanoate CAS Name: (2S)-2-[[(3-nitrophenyl)-oxomethyl]amino]propanoic acid [(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] (2S)-2-[(3-nitrobenzoyl)amino]propanoate Traditional Name: (2S)-2-[(3-nitrobenzoyl)amino]propionic acid [(1R)-2-keto-2-(4-methoxyphenyl)-1-methyl-ethyl] ester Formula: C20H20N2O7 MolecularWeight: 400.382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O7/c1-12(21-19(24)15-5-4-6-16(11-15)22(26)27)20(25)29-13(2)18(23)14-7-9-17(28-3)10-8-14/h4-13H,1-3H3,(H,21,24)/t12-,13+/m0/s1