(3-phenyl-1,2-oxazol-5-yl)methyl 3-[(4-methoxy-3-nitro-phenyl)sulfonylamino]propanoate

Systemtic Name: (3-phenyl-1,2-oxazol-5-yl)methyl 3-[(4-methoxy-3-nitro-phenyl)sulfonylamino]propanoate Openeye Name: (3-phenylisoxazol-5-yl)methyl 3-[(4-methoxy-3-nitro-phenyl)sulfonylamino]propanoate CAS Name: 3-[(4-methoxy-3-nitrophenyl)sulfonylamino]propanoic acid (3-phenyl-5-isoxazolyl)methyl ester IUPAC Name: (3-phenyl-1,2-oxazol-5-yl)methyl 3-[(4-methoxy-3-nitrophenyl)sulfonylamino]propanoate Traditional Name: 3-[(4-methoxy-3-nitro-phenyl)sulfonylamino]propionic acid (3-phenylisoxazol-5-yl)methyl ester Formula: C20H19N3O8S MolecularWeight: 461.44516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)NCCC(=O)OCC2=CC(=NO2)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)NCCC(=O)OCC2=CC(=NO2)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H19N3O8S/c1-29-19-8-7-16(12-18(19)23(25)26)32(27,28)21-10-9-20(24)30-13-15-11-17(22-31-15)14-5-3-2-4-6-14/h2-8,11-12,21H,9-10,13H2,1H3