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

Systemtic Name: [3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 3-methyl-2-nitro-benzoate Openeye Name: [3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 3-methyl-2-nitro-benzoate CAS Name: 3-methyl-2-nitrobenzoic acid [3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: [3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 3-methyl-2-nitrobenzoate Traditional Name: 3-methyl-2-nitro-benzoic acid [3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C19H17N3O7 MolecularWeight: 399.35418

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17N3O7/c1-11-5-4-6-14(17(11)22(24)25)19(23)28-10-16-20-18(21-29-16)13-8-7-12(26-2)9-15(13)27-3/h4-9H,10H2,1-3H3