2-(1,3-benzodioxol-5-yl)-4-nitro-1-(phenylmethyl)benzimidazole

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-4-nitro-1-(phenylmethyl)benzimidazole Openeye Name: 2-(1,3-benzodioxol-5-yl)-1-benzyl-4-nitro-benzimidazole CAS Name: 2-(1,3-benzodioxol-5-yl)-4-nitro-1-(phenylmethyl)benzimidazole IUPAC Name: 2-(1,3-benzodioxol-5-yl)-1-benzyl-4-nitrobenzimidazole Traditional Name: 2-(1,3-benzodioxol-5-yl)-1-benzyl-4-nitro-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=C(N3CC5=CC=CC=C5)C=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=NC4=C(N3CC5=CC=CC=C5)C=CC=C4[N+](=O)[O-]

InChI

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