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

Systemtic Name: 5-(3,4-dimethylphenyl)-1-methyl-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]imidazol-2-amine Openeye Name: 5-(3,4-dimethylphenyl)-1-methyl-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]imidazol-2-amine CAS Name: 5-(3,4-dimethylphenyl)-1-methyl-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]-2-imidazolamine IUPAC Name: 5-(3,4-dimethylphenyl)-1-methyl-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]imidazol-2-amine Traditional Name: [5-(3,4-dimethylphenyl)-1-methyl-imidazol-2-yl]-[(6-nitro-1,3-benzodioxol-5-yl)methyl]amine Formula: C20H20N4O4 MolecularWeight: 380.3972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CN=C(N2C)NCC3=CC4=C(C=C3[N+](=O)[O-])OCO4)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CN=C(N2C)NCC3=CC4=C(C=C3[N+](=O)[O-])OCO4)C

InChI

InChI=1S/C20H20N4O4/c1-12-4-5-14(6-13(12)2)17-10-22-20(23(17)3)21-9-15-7-18-19(28-11-27-18)8-16(15)24(25)26/h4-8,10H,9,11H2,1-3H3,(H,21,22)