[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl 3-methyl-2-nitro-benzoate

Systemtic Name: [3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl 3-methyl-2-nitro-benzoate Openeye Name: [3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl 3-methyl-2-nitro-benzoate CAS Name: 3-methyl-2-nitrobenzoic acid [3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: [3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl 3-methyl-2-nitrobenzoate Traditional Name: 3-methyl-2-nitro-benzoic acid [3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C17H12ClN3O5 MolecularWeight: 373.74728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)OCC2=NC(=NO2)C3=CC(=CC=C3)Cl

Isomeric SMILES

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)OCC2=NC(=NO2)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C17H12ClN3O5/c1-10-4-2-7-13(15(10)21(23)24)17(22)25-9-14-19-16(20-26-14)11-5-3-6-12(18)8-11/h2-8H,9H2,1H3