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2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-nitro-1H-benzimidazole

2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-nitro-1H-benzimidazole

Systemtic Name:2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-nitro-1H-benzimidazole
Openeye Name:2-[(E)-2-(1,3-benzodioxol-5-yl)vinyl]-6-nitro-1H-benzimidazole
CAS Name:2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-nitro-1H-benzimidazole
IUPAC Name:2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-nitro-1H-benzimidazole
Traditional Name:2-[(E)-2-(1,3-benzodioxol-5-yl)vinyl]-6-nitro-1H-benzimidazole
Formula: C16H11N3O4
MolecularWeight: 309.27624
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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C=CC3=NC4=C(N3)C=C(C=C4)[N+](=O)[O-]


Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)/C=C/C3=NC4=C(N3)C=C(C=C4)[N+](=O)[O-]


InChI

InChI=1S/C16H11N3O4/c20-19(21)11-3-4-12-13(8-11)18-16(17-12)6-2-10-1-5-14-15(7-10)23-9-22-14/h1-8H,9H2,(H,17,18)/b6-2+


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