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

Systemtic Name: 1-methyl-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]-5-(3-nitrophenyl)imidazol-2-amine Openeye Name: 1-methyl-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]-5-(3-nitrophenyl)imidazol-2-amine CAS Name: 1-methyl-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]-5-(3-nitrophenyl)-2-imidazolamine IUPAC Name: 1-methyl-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]-5-(3-nitrophenyl)imidazol-2-amine Traditional Name: [1-methyl-5-(3-nitrophenyl)imidazol-2-yl]-[(6-nitro-1,3-benzodioxol-5-yl)methyl]amine Formula: C18H15N5O6 MolecularWeight: 397.3416

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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)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C18H15N5O6/c1-21-15(11-3-2-4-13(5-11)22(24)25)9-20-18(21)19-8-12-6-16-17(29-10-28-16)7-14(12)23(26)27/h2-7,9H,8,10H2,1H3,(H,19,20)