5-(3-bromophenyl)-1-methyl-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]imidazol-2-amine

Systemtic Name: 5-(3-bromophenyl)-1-methyl-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]imidazol-2-amine Openeye Name: 5-(3-bromophenyl)-1-methyl-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]imidazol-2-amine CAS Name: 5-(3-bromophenyl)-1-methyl-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]-2-imidazolamine IUPAC Name: 5-(3-bromophenyl)-1-methyl-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]imidazol-2-amine Traditional Name: [5-(3-bromophenyl)-1-methyl-imidazol-2-yl]-[(6-nitro-1,3-benzodioxol-5-yl)methyl]amine Formula: C18H15BrN4O4 MolecularWeight: 431.2401

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CN=C1NCC2=CC3=C(C=C2[N+](=O)[O-])OCO3)C4=CC(=CC=C4)Br

Isomeric SMILES

CN1C(=CN=C1NCC2=CC3=C(C=C2[N+](=O)[O-])OCO3)C4=CC(=CC=C4)Br

InChI

InChI=1S/C18H15BrN4O4/c1-22-15(11-3-2-4-13(19)5-11)9-21-18(22)20-8-12-6-16-17(27-10-26-16)7-14(12)23(24)25/h2-7,9H,8,10H2,1H3,(H,20,21)