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

Systemtic Name: 1-methyl-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]-5-phenyl-imidazol-2-amine Openeye Name: 1-methyl-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]-5-phenyl-imidazol-2-amine CAS Name: 1-methyl-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]-5-phenyl-2-imidazolamine IUPAC Name: 1-methyl-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]-5-phenylimidazol-2-amine Traditional Name: (1-methyl-5-phenyl-imidazol-2-yl)-[(6-nitro-1,3-benzodioxol-5-yl)methyl]amine Formula: C18H16N4O4 MolecularWeight: 352.34404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N4O4/c1-21-15(12-5-3-2-4-6-12)10-20-18(21)19-9-13-7-16-17(26-11-25-16)8-14(13)22(23)24/h2-8,10H,9,11H2,1H3,(H,19,20)