(E)-2-(1H-benzimidazol-2-yl)-3-(6-ethoxy-1,3-benzodioxol-5-yl)prop-2-enenitrile

Systemtic Name: (E)-2-(1H-benzimidazol-2-yl)-3-(6-ethoxy-1,3-benzodioxol-5-yl)prop-2-enenitrile Openeye Name: (E)-2-(1H-benzimidazol-2-yl)-3-(6-ethoxy-1,3-benzodioxol-5-yl)prop-2-enenitrile CAS Name: (E)-2-(1H-benzimidazol-2-yl)-3-(6-ethoxy-1,3-benzodioxol-5-yl)-2-propenenitrile IUPAC Name: (E)-2-(1H-benzimidazol-2-yl)-3-(6-ethoxy-1,3-benzodioxol-5-yl)prop-2-enenitrile Traditional Name: (E)-2-(1H-benzimidazol-2-yl)-3-(6-ethoxy-1,3-benzodioxol-5-yl)acrylonitrile Formula: C19H15N3O3 MolecularWeight: 333.3407

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1C=C(C#N)C3=NC4=CC=CC=C4N3)OCO2

Isomeric SMILES

CCOC1=CC2=C(C=C1/C=C(\C#N)/C3=NC4=CC=CC=C4N3)OCO2

InChI

InChI=1S/C19H15N3O3/c1-2-23-16-9-18-17(24-11-25-18)8-12(16)7-13(10-20)19-21-14-5-3-4-6-15(14)22-19/h3-9H,2,11H2,1H3,(H,21,22)/b13-7+