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

Systemtic Name: (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 3-[(4-methoxy-3-nitro-phenyl)sulfonylamino]propanoate Openeye Name: (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 3-[(4-methoxy-3-nitro-phenyl)sulfonylamino]propanoate CAS Name: 3-[(4-methoxy-3-nitrophenyl)sulfonylamino]propanoic acid (3-phenyl-1,2,4-oxadiazol-5-yl)methyl ester IUPAC Name: (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 3-[(4-methoxy-3-nitrophenyl)sulfonylamino]propanoate Traditional Name: 3-[(4-methoxy-3-nitro-phenyl)sulfonylamino]propionic acid (3-phenyl-1,2,4-oxadiazol-5-yl)methyl ester Formula: C19H18N4O8S MolecularWeight: 462.43322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N4O8S/c1-29-16-8-7-14(11-15(16)23(25)26)32(27,28)20-10-9-18(24)30-12-17-21-19(22-31-17)13-5-3-2-4-6-13/h2-8,11,20H,9-10,12H2,1H3