(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(benzimidazol-1-yl)ethanoate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(benzimidazol-1-yl)ethanoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(benzimidazol-1-yl)acetate CAS Name: 2-(1-benzimidazolyl)acetic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(benzimidazol-1-yl)acetate Traditional Name: 2-(benzimidazol-1-yl)acetic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C18H15N3O6 MolecularWeight: 369.3282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)COC(=O)CN3C=NC4=CC=CC=C43)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)COC(=O)CN3C=NC4=CC=CC=C43)[N+](=O)[O-]

InChI

InChI=1S/C18H15N3O6/c22-17(7-20-10-19-15-3-1-2-4-16(15)20)26-9-13-6-14(21(23)24)5-12-8-25-11-27-18(12)13/h1-6,10H,7-9,11H2