| Stereochemistry | ACHIRAL |
| Molecular Formula | C23H18FN7O2.C4H4O4 |
| Molecular Weight | 559.5053 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 1 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)\C=C\C(O)=O.CC1=NC(C)=C(O1)C(=O)NC2=CC(C3=NN4C=C(C=NC4=N3)C5=C(C)C=CC=N5)=C(F)C=C2
InChI
InChIKey=FABLYHJOBQZOPC-WLHGVMLRSA-N
InChI=1S/C23H18FN7O2.C4H4O4/c1-12-5-4-8-25-19(12)15-10-26-23-29-21(30-31(23)11-15)17-9-16(6-7-18(17)24)28-22(32)20-13(2)27-14(3)33-20;5-3(6)1-2-4(7)8/h4-11H,1-3H3,(H,28,32);1-2H,(H,5,6)(H,7,8)/b;2-1+
| Molecular Formula | C4H4O4 |
| Molecular Weight | 116.0722 |
| Charge | 0 |
| Count |
MOL RATIO
1 MOL RATIO (average) |
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 1 |
| Optical Activity | NONE |
| Molecular Formula | C23H18FN7O2 |
| Molecular Weight | 443.4331 |
| Charge | 0 |
| Count |
MOL RATIO
1 MOL RATIO (average) |
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
