| Properties | Image |
|---|
| MNX_ID | MNXM1177274 |
 |
| reference | envipathM:...87f8377212b7 |
| formula | C12H14N2O5 |
| global charge | 0 |
| mol weight | 266.253 |
| InChIKey | MIMNKPCJLDLVDK-AUWJEWJLSA-N |
| InChI | InChI=1S/C12H14N2O5/c1-13-5-3-8(4-6-13)10(11(16)17)9(15)7-14(2)12(18)19/h3-7,9-10,15H,1-2H3/b14-7- |
| SMILES | C[N+]1=CC=C(C(C(=O)[O-])C(O)/C=[N+](/C)C(=O)[O-])C=C1 |
MNX internals
| InChI (mnx) | InChI=1/C12H14N2O5/c1-13-5-3-8(4-6-13)10(11(16)17)9(15)7-14(2)12(18)19/h3-7,9-10,15H,1-2H3/b14-7-/t9?,10? |
 |
| SMILES (mnx) | [CH3:1][N+:13]1=[CH:6][CH:4]=[C:8]([CH:10]([CH:9](/[CH:7]=[N+:14](/[CH3:2])[C:12](=[O:18])[O-:19])[OH:15])[C:11](=[O:16])[O-:17])[CH:3]=[CH:5]1 |
|