3-(4-nitrophenyl)-5-phenethyl-1H-1,2,4-triazole

Systemtic Name: 3-(4-nitrophenyl)-5-phenethyl-1H-1,2,4-triazole Openeye Name: 3-(4-nitrophenyl)-5-phenethyl-1H-1,2,4-triazole CAS Name: 3-(4-nitrophenyl)-5-phenethyl-1H-1,2,4-triazole IUPAC Name: 3-(4-nitrophenyl)-5-phenethyl-1H-1,2,4-triazole Traditional Name: 3-(4-nitrophenyl)-5-phenethyl-1H-1,2,4-triazole Formula: C16H14N4O2 MolecularWeight: 294.30796

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC2=NC(=NN2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCC2=NC(=NN2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H14N4O2/c21-20(22)14-9-7-13(8-10-14)16-17-15(18-19-16)11-6-12-4-2-1-3-5-12/h1-5,7-10H,6,11H2,(H,17,18,19)