N-(4-chlorophenyl)-5-[2-(4-nitroimidazol-1-yl)ethyl]-1H-1,2,4-triazol-3-amine

Systemtic Name: N-(4-chlorophenyl)-5-[2-(4-nitroimidazol-1-yl)ethyl]-1H-1,2,4-triazol-3-amine Openeye Name: N-(4-chlorophenyl)-5-[2-(4-nitroimidazol-1-yl)ethyl]-1H-1,2,4-triazol-3-amine CAS Name: N-(4-chlorophenyl)-5-[2-(4-nitro-1-imidazolyl)ethyl]-1H-1,2,4-triazol-3-amine IUPAC Name: N-(4-chlorophenyl)-5-[2-(4-nitroimidazol-1-yl)ethyl]-1H-1,2,4-triazol-3-amine Traditional Name: (4-chlorophenyl)-[5-[2-(4-nitroimidazol-1-yl)ethyl]-1H-1,2,4-triazol-3-yl]amine Formula: C13H12ClN7O2 MolecularWeight: 333.73308

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC2=NNC(=N2)CCN3C=C(N=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1NC2=NNC(=N2)CCN3C=C(N=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C13H12ClN7O2/c14-9-1-3-10(4-2-9)16-13-17-11(18-19-13)5-6-20-7-12(15-8-20)21(22)23/h1-4,7-8H,5-6H2,(H2,16,17,18,19)