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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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