Ketcher 08031511392D 1   1.00000     0.00000     0

 18 19  0     0  0            999 V2000
   11.9458   -9.5709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2027  -10.2400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4106  -11.2182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7379   -8.5927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8969   -9.8799    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4426  -10.5188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2516   -9.9310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6336   -9.9310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9426   -8.9800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9426   -8.9800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1707  -10.9394    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3616  -11.5272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9797  -11.5272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6706  -12.4782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6707  -12.4782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9307  -11.2182    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.6739  -11.8873    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1386  -10.2400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0     0  0
  5  1  1  0     0  0
  4  1  2  0     0  0
  3  2  2  0     0  0
  7  2  1  0     0  0
 12  3  1  0     0  0
  7  6  1  0     0  0
  8  6  1  0     0  0
  9  7  2  0     0  0
 10  8  2  0     0  0
 10  9  1  0     0  0
 12 11  1  0     0  0
 13 11  1  0     0  0
 14 12  2  0     0  0
 15 13  2  0     0  0
 16 13  1  0     0  0
 15 14  1  0     0  0
 17 16  1  0     0  0
 18 16  2  0     0  0
M  CHG  2  16   1  17  -1
M  END
> <ID>
CHEBI:15660

> <NAME>
(Z)-2-(2-furyl)-3-(5-nitro-2-furyl)acrylamide

> <DEFINITION>
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 Formerly used as a food preservative, it was withdrawn from the market following suspicions of carcenogenicity.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:11079; CHEBI:450; CHEBI:18811

> <SYNONYM>
Furylfuramide; AF-2; AF 2; 2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide; (Z)-2-(2-furyl)-3-(5-nitro-2-furyl)acrylamide; (Z)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide; (Z)-2-(2-furyl)-3-(5-nitro-2-furyl)acrylamide

> <IUPAC_NAME>
(2Z)-2-(2-furyl)-3-(5-nitro-2-furyl)prop-2-enamide

> <FORMULA>
C11H8N2O5; C11H8N2O5

> <MASS>
248.19160

> <MONOISOTOPIC_MASS>
248.04332

> <CHARGE>
0

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

> <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-

> <INCHIKEY>
LYAHJFZLDZDIOH-VURMDHGXSA-N

> <CAS_REGISTRY_NUMBER>
3688-53-7

> <KEGG_COMPOUND_ACCESSION>
C04622

> <KEGG_DRUG_ACCESSION>
D02528

> <WIKIPEDIA_ACCESSION>
Furylfuramide

$$$$