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

Systemtic Name: (E)-2-(1H-benzimidazol-2-yl)-3-(6-chloranyl-1,3-benzodioxol-5-yl)prop-2-enenitrile Openeye Name: (E)-2-(1H-benzimidazol-2-yl)-3-(6-chloro-1,3-benzodioxol-5-yl)prop-2-enenitrile CAS Name: (E)-2-(1H-benzimidazol-2-yl)-3-(6-chloro-1,3-benzodioxol-5-yl)-2-propenenitrile IUPAC Name: (E)-2-(1H-benzimidazol-2-yl)-3-(6-chloro-1,3-benzodioxol-5-yl)prop-2-enenitrile Traditional Name: (E)-2-(1H-benzimidazol-2-yl)-3-(6-chloro-1,3-benzodioxol-5-yl)acrylonitrile Formula: C17H10ClN3O2 MolecularWeight: 323.7332

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)C=C(C#N)C3=NC4=CC=CC=C4N3)Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)/C=C(\C#N)/C3=NC4=CC=CC=C4N3)Cl

InChI

InChI=1S/C17H10ClN3O2/c18-12-7-16-15(22-9-23-16)6-10(12)5-11(8-19)17-20-13-3-1-2-4-14(13)21-17/h1-7H,9H2,(H,20,21)/b11-5+