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

Systemtic Name: (E)-2-(1,3-benzodioxol-5-yl)-3-[5-(2-bromanyl-4-nitro-phenyl)furan-2-yl]prop-2-enenitrile Openeye Name: (E)-2-(1,3-benzodioxol-5-yl)-3-[5-(2-bromo-4-nitro-phenyl)-2-furyl]prop-2-enenitrile CAS Name: (E)-2-(1,3-benzodioxol-5-yl)-3-[5-(2-bromo-4-nitrophenyl)-2-furanyl]-2-propenenitrile IUPAC Name: (E)-2-(1,3-benzodioxol-5-yl)-3-[5-(2-bromo-4-nitrophenyl)furan-2-yl]prop-2-enenitrile Traditional Name: (E)-2-(1,3-benzodioxol-5-yl)-3-[5-(2-bromo-4-nitro-phenyl)-2-furyl]acrylonitrile Formula: C20H11BrN2O5 MolecularWeight: 439.21574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=CC3=CC=C(O3)C4=C(C=C(C=C4)[N+](=O)[O-])Br)C#N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)/C(=C\C3=CC=C(O3)C4=C(C=C(C=C4)[N+](=O)[O-])Br)/C#N

InChI

InChI=1S/C20H11BrN2O5/c21-17-9-14(23(24)25)2-4-16(17)18-6-3-15(28-18)7-13(10-22)12-1-5-19-20(8-12)27-11-26-19/h1-9H,11H2/b13-7-