1-[(3-bromophenyl)methyl]-3-nitro-1,2,4-triazole

Systemtic Name: 1-[(3-bromophenyl)methyl]-3-nitro-1,2,4-triazole Openeye Name: 1-[(3-bromophenyl)methyl]-3-nitro-1,2,4-triazole CAS Name: 1-[(3-bromophenyl)methyl]-3-nitro-1,2,4-triazole IUPAC Name: 1-[(3-bromophenyl)methyl]-3-nitro-1,2,4-triazole Traditional Name: 1-(3-bromobenzyl)-3-nitro-1,2,4-triazole Formula: C9H7BrN4O2 MolecularWeight: 283.08148

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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