(4-nitrophenyl)methyl 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoate

Systemtic Name: (4-nitrophenyl)methyl 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoate Openeye Name: (4-nitrophenyl)methyl 3-[3-(3-thienyl)-1,2,4-oxadiazol-5-yl]propanoate CAS Name: 3-[3-(3-thiophenyl)-1,2,4-oxadiazol-5-yl]propanoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoate Traditional Name: 3-[3-(3-thienyl)-1,2,4-oxadiazol-5-yl]propionic acid (4-nitrobenzyl) ester Formula: C16H13N3O5S MolecularWeight: 359.35652

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1COC(=O)CCC2=NC(=NO2)C3=CSC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1COC(=O)CCC2=NC(=NO2)C3=CSC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H13N3O5S/c20-15(23-9-11-1-3-13(4-2-11)19(21)22)6-5-14-17-16(18-24-14)12-7-8-25-10-12/h1-4,7-8,10H,5-6,9H2