5-[(2-imidazol-1-ylphenyl)methyl]-1-methyl-benzotriazole nitrate

Systemtic Name: 5-[(2-imidazol-1-ylphenyl)methyl]-1-methyl-benzotriazole nitrate Openeye Name: 5-[(2-imidazol-1-ylphenyl)methyl]-1-methyl-benzotriazole nitrate CAS Name: 5-[[2-(1-imidazolyl)phenyl]methyl]-1-methylbenzotriazole nitrate IUPAC Name: 5-[(2-imidazol-1-ylphenyl)methyl]-1-methylbenzotriazole nitrate Traditional Name: 5-(2-imidazol-1-ylbenzyl)-1-methyl-benzotriazole nitrate Formula: C17H15N6O3- MolecularWeight: 351.3394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)CC3=CC=CC=C3N4C=CN=C4)N=N1.[N+](=O)([O-])[O-]

Isomeric SMILES

CN1C2=C(C=C(C=C2)CC3=CC=CC=C3N4C=CN=C4)N=N1.[N+](=O)([O-])[O-]

InChI

InChI=1S/C17H15N5.NO3/c1-21-17-7-6-13(11-15(17)19-20-21)10-14-4-2-3-5-16(14)22-9-8-18-12-22;2-1(3)4/h2-9,11-12H,10H2,1H3;/q;-1