4-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]butanoate

Systemtic Name: 4-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]butanoate Openeye Name: 4-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]butanoate CAS Name: 4-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]butanoate IUPAC Name: 4-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]butanoate Traditional Name: 4-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]butyrate Formula: C12H10N3O5- MolecularWeight: 276.2249

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C2=NOC(=N2)CCCC(=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C2=NOC(=N2)CCCC(=O)[O-]

InChI

InChI=1S/C12H11N3O5/c16-11(17)6-2-5-10-13-12(14-20-10)8-3-1-4-9(7-8)15(18)19/h1,3-4,7H,2,5-6H2,(H,16,17)/p-1