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

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

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