5-[2-(2-methyl-4-nitro-imidazol-1-yl)ethyl]-N-phenyl-1H-1,2,4-triazol-3-amine

Systemtic Name: 5-[2-(2-methyl-4-nitro-imidazol-1-yl)ethyl]-N-phenyl-1H-1,2,4-triazol-3-amine Openeye Name: 5-[2-(2-methyl-4-nitro-imidazol-1-yl)ethyl]-N-phenyl-1H-1,2,4-triazol-3-amine CAS Name: 5-[2-(2-methyl-4-nitro-1-imidazolyl)ethyl]-N-phenyl-1H-1,2,4-triazol-3-amine IUPAC Name: 5-[2-(2-methyl-4-nitroimidazol-1-yl)ethyl]-N-phenyl-1H-1,2,4-triazol-3-amine Traditional Name: [5-[2-(2-methyl-4-nitro-imidazol-1-yl)ethyl]-1H-1,2,4-triazol-3-yl]-phenyl-amine Formula: C14H15N7O2 MolecularWeight: 313.3146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CN1CCC2=NC(=NN2)NC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=CN1CCC2=NC(=NN2)NC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C14H15N7O2/c1-10-15-13(21(22)23)9-20(10)8-7-12-17-14(19-18-12)16-11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H2,16,17,18,19)