2-(4-bromophenyl)-6-nitro-4-(phenylmethyl)-4,5-dihydro-3H-1,2,4-triazin-4-ium

Systemtic Name: 2-(4-bromophenyl)-6-nitro-4-(phenylmethyl)-4,5-dihydro-3H-1,2,4-triazin-4-ium Openeye Name: 4-benzyl-2-(4-bromophenyl)-6-nitro-4,5-dihydro-3H-1,2,4-triazin-4-ium CAS Name: 2-(4-bromophenyl)-6-nitro-4-(phenylmethyl)-4,5-dihydro-3H-1,2,4-triazin-4-ium IUPAC Name: 4-benzyl-2-(4-bromophenyl)-6-nitro-4,5-dihydro-3H-1,2,4-triazin-4-ium Traditional Name: 4-benzyl-2-(4-bromophenyl)-6-nitro-4,5-dihydro-3H-1,2,4-triazin-4-ium Formula: C16H16BrN4O2+ MolecularWeight: 376.22784

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=NN(C[NH+]1CC2=CC=CC=C2)C3=CC=C(C=C3)Br)[N+](=O)[O-]

Isomeric SMILES

C1C(=NN(C[NH+]1CC2=CC=CC=C2)C3=CC=C(C=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C16H15BrN4O2/c17-14-6-8-15(9-7-14)20-12-19(11-16(18-20)21(22)23)10-13-4-2-1-3-5-13/h1-9H,10-12H2/p+1