2-(6-nitro-1,3-benzodioxol-5-yl)-1-pentyl-benzimidazole

Systemtic Name: 2-(6-nitro-1,3-benzodioxol-5-yl)-1-pentyl-benzimidazole Openeye Name: 2-(6-nitro-1,3-benzodioxol-5-yl)-1-pentyl-benzimidazole CAS Name: 2-(6-nitro-1,3-benzodioxol-5-yl)-1-pentylbenzimidazole IUPAC Name: 2-(6-nitro-1,3-benzodioxol-5-yl)-1-pentylbenzimidazole Traditional Name: 1-amyl-2-(6-nitro-1,3-benzodioxol-5-yl)benzimidazole Formula: C19H19N3O4 MolecularWeight: 353.37186

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=CC=CC=C2N=C1C3=CC4=C(C=C3[N+](=O)[O-])OCO4

Isomeric SMILES

CCCCCN1C2=CC=CC=C2N=C1C3=CC4=C(C=C3[N+](=O)[O-])OCO4

InChI

InChI=1S/C19H19N3O4/c1-2-3-6-9-21-15-8-5-4-7-14(15)20-19(21)13-10-17-18(26-12-25-17)11-16(13)22(23)24/h4-5,7-8,10-11H,2-3,6,9,12H2,1H3