5-bromanyl-3-nitro-1-(phenylmethyl)-1,2,4-triazole

Systemtic Name: 5-bromanyl-3-nitro-1-(phenylmethyl)-1,2,4-triazole Openeye Name: 1-benzyl-5-bromo-3-nitro-1,2,4-triazole CAS Name: 5-bromo-3-nitro-1-(phenylmethyl)-1,2,4-triazole IUPAC Name: 1-benzyl-5-bromo-3-nitro-1,2,4-triazole Traditional Name: 1-benzyl-5-bromo-3-nitro-1,2,4-triazole Formula: C9H7BrN4O2 MolecularWeight: 283.08148

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=NC(=N2)[N+](=O)[O-])Br

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NC(=N2)[N+](=O)[O-])Br

InChI

InChI=1S/C9H7BrN4O2/c10-8-11-9(14(15)16)12-13(8)6-7-4-2-1-3-5-7/h1-5H,6H2