(5-ethanoyl-2-methoxy-phenyl)methyl (2S)-2-[(3-nitrophenyl)carbonylamino]propanoate

Systemtic Name: (5-ethanoyl-2-methoxy-phenyl)methyl (2S)-2-[(3-nitrophenyl)carbonylamino]propanoate Openeye Name: (5-acetyl-2-methoxy-phenyl)methyl (2S)-2-[(3-nitrobenzoyl)amino]propanoate CAS Name: (2S)-2-[[(3-nitrophenyl)-oxomethyl]amino]propanoic acid (5-acetyl-2-methoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-methoxyphenyl)methyl (2S)-2-[(3-nitrobenzoyl)amino]propanoate Traditional Name: (2S)-2-[(3-nitrobenzoyl)amino]propionic acid (5-acetyl-2-methoxy-benzyl) ester Formula: C20H20N2O7 MolecularWeight: 400.382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC1=C(C=CC(=C1)C(=O)C)OC)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)OCC1=C(C=CC(=C1)C(=O)C)OC)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H20N2O7/c1-12(21-19(24)15-5-4-6-17(10-15)22(26)27)20(25)29-11-16-9-14(13(2)23)7-8-18(16)28-3/h4-10,12H,11H2,1-3H3,(H,21,24)/t12-/m0/s1