5-[[(4-azido-3-iodanyl-phenyl)carbonylamino]methyl]-N,N-dimethyl-1,2,3,4-tetrazole-2-carboxamide

Systemtic Name: 5-[[(4-azido-3-iodanyl-phenyl)carbonylamino]methyl]-N,N-dimethyl-1,2,3,4-tetrazole-2-carboxamide Openeye Name: 5-[[(4-azido-3-iodo-benzoyl)amino]methyl]-N,N-dimethyl-tetrazole-2-carboxamide CAS Name: 5-[[[(4-azido-3-iodophenyl)-oxomethyl]amino]methyl]-N,N-dimethyl-2-tetrazolecarboxamide IUPAC Name: 5-[[(4-azido-3-iodobenzoyl)amino]methyl]-N,N-dimethyltetrazole-2-carboxamide Traditional Name: 5-[[(4-azido-3-iodo-benzoyl)amino]methyl]-N,N-dimethyl-tetrazole-2-carboxamide Formula: C12H12IN9O2 MolecularWeight: 441.18725

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)N1N=C(N=N1)CNC(=O)C2=CC(=C(C=C2)N=[N+]=[N-])I

Isomeric SMILES

CN(C)C(=O)N1N=C(N=N1)CNC(=O)C2=CC(=C(C=C2)N=[N+]=[N-])I

InChI

InChI=1S/C12H12IN9O2/c1-21(2)12(24)22-18-10(17-20-22)6-15-11(23)7-3-4-9(16-19-14)8(13)5-7/h3-5H,6H2,1-2H3,(H,15,23)