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

Systemtic Name: [3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl 5-ethoxy-4-methoxy-2-nitro-benzoate Openeye Name: [3-(4-isopropylphenyl)-1,2,4-oxadiazol-5-yl]methyl 5-ethoxy-4-methoxy-2-nitro-benzoate CAS Name: 5-ethoxy-4-methoxy-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 5-ethoxy-4-methoxy-2-nitrobenzoate Traditional Name: 5-ethoxy-4-methoxy-2-nitro-benzoic acid (3-p-cumenyl-1,2,4-oxadiazol-5-yl)methyl ester Formula: C22H23N3O7 MolecularWeight: 441.43392

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C(=O)OCC2=NC(=NO2)C3=CC=C(C=C3)C(C)C)[N+](=O)[O-])OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)C(=O)OCC2=NC(=NO2)C3=CC=C(C=C3)C(C)C)[N+](=O)[O-])OC

InChI

InChI=1S/C22H23N3O7/c1-5-30-19-10-16(17(25(27)28)11-18(19)29-4)22(26)31-12-20-23-21(24-32-20)15-8-6-14(7-9-15)13(2)3/h6-11,13H,5,12H2,1-4H3