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

Systemtic Name: [3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl 2-azanyl-5-nitro-benzoate Openeye Name: [3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl 2-amino-5-nitro-benzoate CAS Name: 2-amino-5-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-amino-5-nitrobenzoate Traditional Name: 2-amino-5-nitro-benzoic acid [3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C16H11BrN4O5 MolecularWeight: 419.18634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11BrN4O5/c17-10-3-1-2-9(6-10)15-19-14(26-20-15)8-25-16(22)12-7-11(21(23)24)4-5-13(12)18/h1-7H,8,18H2