5,6-dimethyl-1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]benzimidazole

Systemtic Name: 5,6-dimethyl-1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]benzimidazole Openeye Name: 5,6-dimethyl-1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]benzimidazole CAS Name: 5,6-dimethyl-1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]benzimidazole IUPAC Name: 5,6-dimethyl-1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]benzimidazole Traditional Name: 5,6-dimethyl-1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]benzimidazole Formula: C18H17N3O4 MolecularWeight: 339.34528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)N(C=N2)CC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

Isomeric SMILES

CC1=CC2=C(C=C1C)N(C=N2)CC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

InChI

InChI=1S/C18H17N3O4/c1-11-3-16-17(4-12(11)2)20(9-19-16)7-13-5-15(21(22)23)6-14-8-24-10-25-18(13)14/h3-6,9H,7-8,10H2,1-2H3