(E)-3-(1,3-benzodioxol-5-yl)-2-(1-methylbenzimidazol-2-yl)prop-2-enenitrile

Systemtic Name: (E)-3-(1,3-benzodioxol-5-yl)-2-(1-methylbenzimidazol-2-yl)prop-2-enenitrile Openeye Name: (E)-3-(1,3-benzodioxol-5-yl)-2-(1-methylbenzimidazol-2-yl)prop-2-enenitrile CAS Name: (E)-3-(1,3-benzodioxol-5-yl)-2-(1-methyl-2-benzimidazolyl)-2-propenenitrile IUPAC Name: (E)-3-(1,3-benzodioxol-5-yl)-2-(1-methylbenzimidazol-2-yl)prop-2-enenitrile Traditional Name: (E)-3-(1,3-benzodioxol-5-yl)-2-(1-methylbenzimidazol-2-yl)acrylonitrile Formula: C18H13N3O2 MolecularWeight: 303.31472

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N=C1C(=CC3=CC4=C(C=C3)OCO4)C#N

Isomeric SMILES

CN1C2=CC=CC=C2N=C1/C(=C/C3=CC4=C(C=C3)OCO4)/C#N

InChI

InChI=1S/C18H13N3O2/c1-21-15-5-3-2-4-14(15)20-18(21)13(10-19)8-12-6-7-16-17(9-12)23-11-22-16/h2-9H,11H2,1H3/b13-8+