4-bromanyl-3,5-dinitro-N-(1,2,4-triazol-4-yl)benzamide

Systemtic Name: 4-bromanyl-3,5-dinitro-N-(1,2,4-triazol-4-yl)benzamide Openeye Name: 4-bromo-3,5-dinitro-N-(1,2,4-triazol-4-yl)benzamide CAS Name: 4-bromo-3,5-dinitro-N-(1,2,4-triazol-4-yl)benzamide IUPAC Name: 4-bromo-3,5-dinitro-N-(1,2,4-triazol-4-yl)benzamide Traditional Name: 4-bromo-3,5-dinitro-N-(1,2,4-triazol-4-yl)benzamide Formula: C9H5BrN6O5 MolecularWeight: 357.0772

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1[N+](=O)[O-])Br)[N+](=O)[O-])C(=O)NN2C=NN=C2

Isomeric SMILES

C1=C(C=C(C(=C1[N+](=O)[O-])Br)[N+](=O)[O-])C(=O)NN2C=NN=C2

InChI

InChI=1S/C9H5BrN6O5/c10-8-6(15(18)19)1-5(2-7(8)16(20)21)9(17)13-14-3-11-12-4-14/h1-4H,(H,13,17)