N-[(4-iodophenyl)methyl]-N-(4-nitrophenyl)-1,2,4-triazol-4-amine

Systemtic Name: N-[(4-iodophenyl)methyl]-N-(4-nitrophenyl)-1,2,4-triazol-4-amine Openeye Name: N-[(4-iodophenyl)methyl]-N-(4-nitrophenyl)-1,2,4-triazol-4-amine CAS Name: N-[(4-iodophenyl)methyl]-N-(4-nitrophenyl)-1,2,4-triazol-4-amine IUPAC Name: N-[(4-iodophenyl)methyl]-N-(4-nitrophenyl)-1,2,4-triazol-4-amine Traditional Name: (4-iodobenzyl)-(4-nitrophenyl)-(1,2,4-triazol-4-yl)amine Formula: C15H12IN5O2 MolecularWeight: 421.19255

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN(C2=CC=C(C=C2)[N+](=O)[O-])N3C=NN=C3)I

Isomeric SMILES

C1=CC(=CC=C1CN(C2=CC=C(C=C2)[N+](=O)[O-])N3C=NN=C3)I

InChI

InChI=1S/C15H12IN5O2/c16-13-3-1-12(2-4-13)9-20(19-10-17-18-11-19)14-5-7-15(8-6-14)21(22)23/h1-8,10-11H,9H2