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

Systemtic Name: [3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-methyl-3-nitro-benzoate Openeye Name: [3-(4-isopropylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-methyl-3-nitro-benzoate CAS Name: 2-methyl-3-nitrobenzoic acid [3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: [3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-methyl-3-nitrobenzoate Traditional Name: 2-methyl-3-nitro-benzoic acid (3-p-cumenyl-1,2,4-oxadiazol-5-yl)methyl ester Formula: C20H19N3O5 MolecularWeight: 381.38196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O5/c1-12(2)14-7-9-15(10-8-14)19-21-18(28-22-19)11-27-20(24)16-5-4-6-17(13(16)3)23(25)26/h4-10,12H,11H2,1-3H3