1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 2-chloranyl-5-nitro-benzoate

Systemtic Name: 1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 2-chloranyl-5-nitro-benzoate Openeye Name: 1-[5-(p-tolyl)-1,3,4-oxadiazol-2-yl]ethyl 2-chloro-5-nitro-benzoate CAS Name: 2-chloro-5-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-chloro-5-nitrobenzoate Traditional Name: 2-chloro-5-nitro-benzoic acid 1-[5-(p-tolyl)-1,3,4-oxadiazol-2-yl]ethyl ester Formula: C18H14ClN3O5 MolecularWeight: 387.77386

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=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

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

InChI

InChI=1S/C18H14ClN3O5/c1-10-3-5-12(6-4-10)17-21-20-16(27-17)11(2)26-18(23)14-9-13(22(24)25)7-8-15(14)19/h3-9,11H,1-2H3