2-(1,3-benzodioxol-5-yl)-1-[(4-nitrophenyl)methyl]benzimidazole

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-1-[(4-nitrophenyl)methyl]benzimidazole Openeye Name: 2-(1,3-benzodioxol-5-yl)-1-[(4-nitrophenyl)methyl]benzimidazole CAS Name: 2-(1,3-benzodioxol-5-yl)-1-[(4-nitrophenyl)methyl]benzimidazole IUPAC Name: 2-(1,3-benzodioxol-5-yl)-1-[(4-nitrophenyl)methyl]benzimidazole Traditional Name: 2-(1,3-benzodioxol-5-yl)-1-(4-nitrobenzyl)benzimidazole Formula: C21H15N3O4 MolecularWeight: 373.3615

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=NC4=CC=CC=C4N3CC5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=NC4=CC=CC=C4N3CC5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C21H15N3O4/c25-24(26)16-8-5-14(6-9-16)12-23-18-4-2-1-3-17(18)22-21(23)15-7-10-19-20(11-15)28-13-27-19/h1-11H,12-13H2