5-[2-(bromomethyl)phenyl]-1-methyl-3-(4-nitrophenyl)-1,2,4-triazole

Systemtic Name: 5-[2-(bromomethyl)phenyl]-1-methyl-3-(4-nitrophenyl)-1,2,4-triazole Openeye Name: 5-[2-(bromomethyl)phenyl]-1-methyl-3-(4-nitrophenyl)-1,2,4-triazole CAS Name: 5-[2-(bromomethyl)phenyl]-1-methyl-3-(4-nitrophenyl)-1,2,4-triazole IUPAC Name: 5-[2-(bromomethyl)phenyl]-1-methyl-3-(4-nitrophenyl)-1,2,4-triazole Traditional Name: 5-[2-(bromomethyl)phenyl]-1-methyl-3-(4-nitrophenyl)-1,2,4-triazole Formula: C16H13BrN4O2 MolecularWeight: 373.20402

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC(=N1)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3CBr

Isomeric SMILES

CN1C(=NC(=N1)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3CBr

InChI

InChI=1S/C16H13BrN4O2/c1-20-16(14-5-3-2-4-12(14)10-17)18-15(19-20)11-6-8-13(9-7-11)21(22)23/h2-9H,10H2,1H3