4-ethyl-2-(3-iodanylprop-2-ynyl)-5-(4-nitrophenyl)-1,2,4-triazol-3-one

Systemtic Name: 4-ethyl-2-(3-iodanylprop-2-ynyl)-5-(4-nitrophenyl)-1,2,4-triazol-3-one Openeye Name: 4-ethyl-2-(3-iodoprop-2-ynyl)-5-(4-nitrophenyl)-1,2,4-triazol-3-one CAS Name: 4-ethyl-2-(3-iodoprop-2-ynyl)-5-(4-nitrophenyl)-1,2,4-triazol-3-one IUPAC Name: 4-ethyl-2-(3-iodoprop-2-ynyl)-5-(4-nitrophenyl)-1,2,4-triazol-3-one Traditional Name: 4-ethyl-2-(3-iodoprop-2-ynyl)-5-(4-nitrophenyl)-1,2,4-triazol-3-one Formula: C13H11IN4O3 MolecularWeight: 398.15591

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN(C1=O)CC#CI)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCN1C(=NN(C1=O)CC#CI)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H11IN4O3/c1-2-16-12(15-17(13(16)19)9-3-8-14)10-4-6-11(7-5-10)18(20)21/h4-7H,2,9H2,1H3