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

Systemtic Name: [5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl 3-methyl-4-nitro-benzoate Openeye Name: [5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid [5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl ester IUPAC Name: [5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid [5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl ester Formula: C20H19N3O8 MolecularWeight: 429.38016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)OCC2=NN=C(O2)C3=CC(=C(C(=C3)OC)OC)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)OCC2=NN=C(O2)C3=CC(=C(C(=C3)OC)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C20H19N3O8/c1-11-7-12(5-6-14(11)23(25)26)20(24)30-10-17-21-22-19(31-17)13-8-15(27-2)18(29-4)16(9-13)28-3/h5-9H,10H2,1-4H3