1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 2-nitrobenzoate

Systemtic Name: 1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 2-nitrobenzoate Openeye Name: 1-[5-(p-tolyl)-1,3,4-oxadiazol-2-yl]ethyl 2-nitrobenzoate CAS Name: 2-nitrobenzoic acid 1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl ester IUPAC Name: 1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 2-nitrobenzoate Traditional Name: 2-nitrobenzoic acid 1-[5-(p-tolyl)-1,3,4-oxadiazol-2-yl]ethyl ester Formula: C18H15N3O5 MolecularWeight: 353.3288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(O2)C(C)OC(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(O2)C(C)OC(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C18H15N3O5/c1-11-7-9-13(10-8-11)17-20-19-16(26-17)12(2)25-18(22)14-5-3-4-6-15(14)21(23)24/h3-10,12H,1-2H3