propan-2-yl 3-(2-nitrophenyl)-3-[(3-phenyl-1,2-oxazol-5-yl)carbonylamino]propanoate

Systemtic Name: propan-2-yl 3-(2-nitrophenyl)-3-[(3-phenyl-1,2-oxazol-5-yl)carbonylamino]propanoate Openeye Name: isopropyl 3-(2-nitrophenyl)-3-[(3-phenylisoxazole-5-carbonyl)amino]propanoate CAS Name: 3-(2-nitrophenyl)-3-[[oxo-(3-phenyl-5-isoxazolyl)methyl]amino]propanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-(2-nitrophenyl)-3-[(3-phenyl-1,2-oxazole-5-carbonyl)amino]propanoate Traditional Name: 3-(2-nitrophenyl)-3-[(3-phenylisoxazole-5-carbonyl)amino]propionic acid isopropyl ester Formula: C22H21N3O6 MolecularWeight: 423.41864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CC(C1=CC=CC=C1[N+](=O)[O-])NC(=O)C2=CC(=NO2)C3=CC=CC=C3

Isomeric SMILES

CC(C)OC(=O)CC(C1=CC=CC=C1[N+](=O)[O-])NC(=O)C2=CC(=NO2)C3=CC=CC=C3

InChI

InChI=1S/C22H21N3O6/c1-14(2)30-21(26)13-18(16-10-6-7-11-19(16)25(28)29)23-22(27)20-12-17(24-31-20)15-8-4-3-5-9-15/h3-12,14,18H,13H2,1-2H3,(H,23,27)