(3-phenyl-1,2,4-oxadiazol-5-yl)methyl (2S)-2-[(3-nitrophenyl)carbonylamino]propanoate

Systemtic Name: (3-phenyl-1,2,4-oxadiazol-5-yl)methyl (2S)-2-[(3-nitrophenyl)carbonylamino]propanoate Openeye Name: (3-phenyl-1,2,4-oxadiazol-5-yl)methyl (2S)-2-[(3-nitrobenzoyl)amino]propanoate CAS Name: (2S)-2-[[(3-nitrophenyl)-oxomethyl]amino]propanoic acid (3-phenyl-1,2,4-oxadiazol-5-yl)methyl ester IUPAC Name: (3-phenyl-1,2,4-oxadiazol-5-yl)methyl (2S)-2-[(3-nitrobenzoyl)amino]propanoate Traditional Name: (2S)-2-[(3-nitrobenzoyl)amino]propionic acid (3-phenyl-1,2,4-oxadiazol-5-yl)methyl ester Formula: C19H16N4O6 MolecularWeight: 396.35354

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC1=NC(=NO1)C2=CC=CC=C2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)OCC1=NC(=NO1)C2=CC=CC=C2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H16N4O6/c1-12(20-18(24)14-8-5-9-15(10-14)23(26)27)19(25)28-11-16-21-17(22-29-16)13-6-3-2-4-7-13/h2-10,12H,11H2,1H3,(H,20,24)/t12-/m0/s1