null
  CDK     0225161900
null
 25 27  0  0  0  0  0  0  0  0999 V2000
    0.1067    3.2384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1067    2.4134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6078    2.0009    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6078    1.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3222    0.7634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3222   -0.0616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0367   -0.4741    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6078   -0.4741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6078   -1.2991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2752   -1.7840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0203   -2.5687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1953   -2.5687    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0597   -1.7840    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0598   -1.5291    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6729   -2.0811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5014   -2.8881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1145   -3.4401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8991   -3.1852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0706   -2.3782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4575   -1.8262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6291   -1.0192    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0160   -0.4672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1875    0.3398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1067   -0.0616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1067    0.7634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0 
  2  3  1  0  0  0  0 
  3  4  1  0  0  0  0 
  4  5  2  0  0  0  0 
  5  6  1  0  0  0  0 
  6  7  2  0  0  0  0 
  8  6  1  4  0  0  0 
  8  9  2  0  0  0  0 
  9 10  1  0  0  0  0 
 10 11  2  0  0  0  0 
 11 12  1  0  0  0  0 
 12 13  1  0  0  0  0 
 13  9  1  0  0  0  0 
 10 14  1  0  0  0  0 
 14 15  1  0  0  0  0 
 15 16  2  0  0  0  0 
 16 17  1  0  0  0  0 
 17 18  2  0  0  0  0 
 18 19  1  0  0  0  0 
 19 20  2  0  0  0  0 
 20 15  1  0  0  0  0 
 20 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
 22 23  1  0  0  0  0 
  8 24  1  0  0  0  0 
 24 25  2  0  0  0  0 
 25  4  1  0  0  0  0 
M  END
> <ID>
CHEBI:115626

> <NAME>
3-ethoxy-6-[4-(2-ethoxyphenoxy)-1,2-dihydropyrazol-3-ylidene]-1-cyclohexa-2,4-dienone

> <STAR>
2

> <FORMULA>
C19H20N2O4

> <MASS>
340.374

> <MONOISOTOPIC_MASS>
340.14231

> <CHARGE>
0

> <SMILES>
CCOC1=CC(=O)C(=C2C(=CNN2)OC3=CC=CC=C3OCC)C=C1

> <INCHI>
InChI=1S/C19H20N2O4/c1-3-23-13-9-10-14(15(22)11-13)19-18(12-20-21-19)25-17-8-6-5-7-16(17)24-4-2/h5-12,20-21H,3-4H2,1-2H3

> <INCHIKEY>
WLEGHUATPVYRSK-UHFFFAOYSA-N

> <LINCS_ACCESSION>
LSM-27083

$$$$