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

Systemtic Name: [3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl 3-nitrobenzoate Openeye Name: [3-(4-isopropylphenyl)-1,2,4-oxadiazol-5-yl]methyl 3-nitrobenzoate CAS Name: 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 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid (3-p-cumenyl-1,2,4-oxadiazol-5-yl)methyl ester Formula: C19H17N3O5 MolecularWeight: 367.35538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2=NOC(=N2)COC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2=NOC(=N2)COC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H17N3O5/c1-12(2)13-6-8-14(9-7-13)18-20-17(27-21-18)11-26-19(23)15-4-3-5-16(10-15)22(24)25/h3-10,12H,11H2,1-2H3