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

Systemtic Name: (E)-2-(1H-benzimidazol-2-yl)-3-(6-methoxy-1,3-benzodioxol-5-yl)prop-2-enenitrile Openeye Name: (E)-2-(1H-benzimidazol-2-yl)-3-(6-methoxy-1,3-benzodioxol-5-yl)prop-2-enenitrile CAS Name: (E)-2-(1H-benzimidazol-2-yl)-3-(6-methoxy-1,3-benzodioxol-5-yl)-2-propenenitrile IUPAC Name: (E)-2-(1H-benzimidazol-2-yl)-3-(6-methoxy-1,3-benzodioxol-5-yl)prop-2-enenitrile Traditional Name: (E)-2-(1H-benzimidazol-2-yl)-3-(6-methoxy-1,3-benzodioxol-5-yl)acrylonitrile Formula: C18H13N3O3 MolecularWeight: 319.31412

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1C=C(C#N)C3=NC4=CC=CC=C4N3)OCO2

Isomeric SMILES

COC1=CC2=C(C=C1/C=C(\C#N)/C3=NC4=CC=CC=C4N3)OCO2

InChI

InChI=1S/C18H13N3O3/c1-22-15-8-17-16(23-10-24-17)7-11(15)6-12(9-19)18-20-13-4-2-3-5-14(13)21-18/h2-8H,10H2,1H3,(H,20,21)/b12-6+