5-(3,4-dichlorophenyl)-1-methyl-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]imidazol-2-amine

Systemtic Name: 5-(3,4-dichlorophenyl)-1-methyl-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]imidazol-2-amine Openeye Name: 5-(3,4-dichlorophenyl)-1-methyl-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]imidazol-2-amine CAS Name: 5-(3,4-dichlorophenyl)-1-methyl-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]-2-imidazolamine IUPAC Name: 5-(3,4-dichlorophenyl)-1-methyl-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]imidazol-2-amine Traditional Name: [5-(3,4-dichlorophenyl)-1-methyl-imidazol-2-yl]-[(6-nitro-1,3-benzodioxol-5-yl)methyl]amine Formula: C18H14Cl2N4O4 MolecularWeight: 421.23416

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14Cl2N4O4/c1-23-15(10-2-3-12(19)13(20)4-10)8-22-18(23)21-7-11-5-16-17(28-9-27-16)6-14(11)24(25)26/h2-6,8H,7,9H2,1H3,(H,21,22)