Molecule ID: 5280707

IUPAC Name: (Z)-2-(furan-2-yl)-3-(5-nitrofuran-2-yl)prop-2-enamide

Description: The molecule is a member of the class of acrylamides that is acrylamide which is substituted at positions 2 and 3 by 2-furyl and 5-nitro-2-furyl groups, respectively (the trans isomer). Formerly used as a food preservative, it was withdrawn from the market following suspicions of carcenogenicity. It is a nitrofuran antibiotic, a C-nitro compound, a primary carboxamide and a member of acrylamides.

SMILES: N=C(O)/C(=C\c1ccc([N+](=O)[O-])o1)c1ccco1

SELFIES: [N][=C][Branch1][C][O][/C][=Branch1][S][=C][\C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][O][Ring1][Branch2][C][=C][C][=C][O][Ring1][Branch1]

InChI: InChI=1S/C11H8N2O5/c12-11(14)8(9-2-1-5-17-9)6-7-3-4-10(18-7)13(15)16/h1-6H,(H2,12,14)/b8-6-

Molecular Properties:
- Polar Surface Area: 115.0 Ų
- LogP: 0.1