| Stereochemistry | ACHIRAL |
| Molecular Formula | C15H12N2O3 |
| Molecular Weight | 268.2674 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 2 |
| Charge | 0 |
| Stereo Comments | Assumed E-isomer (MM2 minimum energy for E and Z are 33.3101 and 37.1235 kcal/mol) |
SHOW SMILES / InChI
SMILES
O1C=CC=C1\C=N\C(\N=C\C2=CC=CO2)C3=CC=CO3
InChI
InChIKey=CYGDSXFTXXFMNI-OTYYAQKOSA-N
InChI=1S/C15H12N2O3/c1-4-12(18-7-1)10-16-15(14-6-3-9-20-14)17-11-13-5-2-8-19-13/h1-11,15H/b16-10+,17-11+
| Molecular Formula | C15H12N2O3 |
| Molecular Weight | 268.2674 |
| Charge | 0 |
| Count |
MOL RATIO
1 MOL RATIO (average) |
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 2 |
| Optical Activity | NONE |