[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl 2-methyl-6-nitro-benzoate

Systemtic Name: [3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl 2-methyl-6-nitro-benzoate Openeye Name: [3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl 2-methyl-6-nitro-benzoate CAS Name: 2-methyl-6-nitrobenzoic acid [3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: [3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl 2-methyl-6-nitrobenzoate Traditional Name: 2-methyl-6-nitro-benzoic acid [3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C17H12BrN3O5 MolecularWeight: 418.19828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H12BrN3O5/c1-10-4-2-7-13(21(23)24)15(10)17(22)25-9-14-19-16(20-26-14)11-5-3-6-12(18)8-11/h2-8H,9H2,1H3