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

Systemtic Name: [3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 4-methyl-3-nitro-benzoate Openeye Name: [3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 4-methyl-3-nitro-benzoate CAS Name: 4-methyl-3-nitrobenzoic acid [3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: [3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 4-methyl-3-nitrobenzoate Traditional Name: 4-methyl-3-nitro-benzoic acid [3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C18H15N3O6 MolecularWeight: 369.3282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC2=NC(=NO2)C3=CC=CC=C3OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC2=NC(=NO2)C3=CC=CC=C3OC)[N+](=O)[O-]

InChI

InChI=1S/C18H15N3O6/c1-11-7-8-12(9-14(11)21(23)24)18(22)26-10-16-19-17(20-27-16)13-5-3-4-6-15(13)25-2/h3-9H,10H2,1-2H3