5-[(4-bromanylphenoxy)methyl]-3-(3-methyl-4-nitro-phenyl)-1H-1,2,4-triazole

Systemtic Name: 5-[(4-bromanylphenoxy)methyl]-3-(3-methyl-4-nitro-phenyl)-1H-1,2,4-triazole Openeye Name: 5-[(4-bromophenoxy)methyl]-3-(3-methyl-4-nitro-phenyl)-1H-1,2,4-triazole CAS Name: 5-[(4-bromophenoxy)methyl]-3-(3-methyl-4-nitrophenyl)-1H-1,2,4-triazole IUPAC Name: 5-[(4-bromophenoxy)methyl]-3-(3-methyl-4-nitrophenyl)-1H-1,2,4-triazole Traditional Name: 5-[(4-bromophenoxy)methyl]-3-(3-methyl-4-nitro-phenyl)-1H-1,2,4-triazole Formula: C16H13BrN4O3 MolecularWeight: 389.20342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=NNC(=N2)COC3=CC=C(C=C3)Br)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C2=NNC(=N2)COC3=CC=C(C=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C16H13BrN4O3/c1-10-8-11(2-7-14(10)21(22)23)16-18-15(19-20-16)9-24-13-5-3-12(17)4-6-13/h2-8H,9H2,1H3,(H,18,19,20)