N-(4-bromanyl-2-nitro-phenyl)-1H-1,2,4-triazole-5-carboxamide

Systemtic Name: N-(4-bromanyl-2-nitro-phenyl)-1H-1,2,4-triazole-5-carboxamide Openeye Name: N-(4-bromo-2-nitro-phenyl)-1H-1,2,4-triazole-5-carboxamide CAS Name: N-(4-bromo-2-nitrophenyl)-1H-1,2,4-triazole-5-carboxamide IUPAC Name: N-(4-bromo-2-nitrophenyl)-1H-1,2,4-triazole-5-carboxamide Traditional Name: N-(4-bromo-2-nitro-phenyl)-1H-1,2,4-triazole-5-carboxamide Formula: C9H6BrN5O3 MolecularWeight: 312.07964

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Br)[N+](=O)[O-])NC(=O)C2=NC=NN2

Isomeric SMILES

C1=CC(=C(C=C1Br)[N+](=O)[O-])NC(=O)C2=NC=NN2

InChI

InChI=1S/C9H6BrN5O3/c10-5-1-2-6(7(3-5)15(17)18)13-9(16)8-11-4-12-14-8/h1-4H,(H,13,16)(H,11,12,14)