[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl 3-nitrobenzoate

Systemtic Name: [3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl 3-nitrobenzoate Openeye Name: [3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl 3-nitrobenzoate CAS Name: 3-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 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C16H10BrN3O5 MolecularWeight: 404.1717

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)C2=NOC(=N2)COC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)Br)C2=NOC(=N2)COC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H10BrN3O5/c17-12-5-1-3-10(7-12)15-18-14(25-19-15)9-24-16(21)11-4-2-6-13(8-11)20(22)23/h1-8H,9H2