2-[2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-5-nitro-imidazol-1-yl]ethanol

Systemtic Name: 2-[2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-5-nitro-imidazol-1-yl]ethanol Openeye Name: 2-[2-[(E)-2-(1,3-benzodioxol-5-yl)vinyl]-5-nitro-imidazol-1-yl]ethanol CAS Name: 2-[2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-5-nitro-1-imidazolyl]ethanol IUPAC Name: 2-[2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-5-nitroimidazol-1-yl]ethanol Traditional Name: 2-[2-[(E)-2-(1,3-benzodioxol-5-yl)vinyl]-5-nitro-imidazol-1-yl]ethanol Formula: C14H13N3O5 MolecularWeight: 303.27012

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C=CC3=NC=C(N3CCO)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)/C=C/C3=NC=C(N3CCO)[N+](=O)[O-]

InChI

InChI=1S/C14H13N3O5/c18-6-5-16-13(15-8-14(16)17(19)20)4-2-10-1-3-11-12(7-10)22-9-21-11/h1-4,7-8,18H,5-6,9H2/b4-2+