1-[[4-(imidazol-1-ylmethyl)-2,5-dimethyl-3-nitro-phenyl]methyl]imidazole

Systemtic Name: 1-[[4-(imidazol-1-ylmethyl)-2,5-dimethyl-3-nitro-phenyl]methyl]imidazole Openeye Name: 1-[[4-(imidazol-1-ylmethyl)-2,5-dimethyl-3-nitro-phenyl]methyl]imidazole CAS Name: 1-[[4-(1-imidazolylmethyl)-2,5-dimethyl-3-nitrophenyl]methyl]imidazole IUPAC Name: 1-[[4-(imidazol-1-ylmethyl)-2,5-dimethyl-3-nitrophenyl]methyl]imidazole Traditional Name: 1-[4-(imidazol-1-ylmethyl)-2,5-dimethyl-3-nitro-benzyl]imidazole Formula: C16H17N5O2 MolecularWeight: 311.33848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1CN2C=CN=C2)[N+](=O)[O-])C)CN3C=CN=C3

Isomeric SMILES

CC1=CC(=C(C(=C1CN2C=CN=C2)[N+](=O)[O-])C)CN3C=CN=C3

InChI

InChI=1S/C16H17N5O2/c1-12-7-14(8-19-5-3-17-10-19)13(2)16(21(22)23)15(12)9-20-6-4-18-11-20/h3-7,10-11H,8-9H2,1-2H3