2-(1,3-benzodioxol-5-yl)-3-[3-bromanyl-4-(dimethylamino)phenyl]prop-2-enenitrile

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-3-[3-bromanyl-4-(dimethylamino)phenyl]prop-2-enenitrile Openeye Name: 2-(1,3-benzodioxol-5-yl)-3-[3-bromo-4-(dimethylamino)phenyl]prop-2-enenitrile CAS Name: 2-(1,3-benzodioxol-5-yl)-3-[3-bromo-4-(dimethylamino)phenyl]-2-propenenitrile IUPAC Name: 2-(1,3-benzodioxol-5-yl)-3-[3-bromo-4-(dimethylamino)phenyl]prop-2-enenitrile Traditional Name: 2-(1,3-benzodioxol-5-yl)-3-[3-bromo-4-(dimethylamino)phenyl]acrylonitrile Formula: C18H15BrN2O2 MolecularWeight: 371.2279

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1)C=C(C#N)C2=CC3=C(C=C2)OCO3)Br

Isomeric SMILES

CN(C)C1=C(C=C(C=C1)C=C(C#N)C2=CC3=C(C=C2)OCO3)Br

InChI

InChI=1S/C18H15BrN2O2/c1-21(2)16-5-3-12(8-15(16)19)7-14(10-20)13-4-6-17-18(9-13)23-11-22-17/h3-9H,11H2,1-2H3