| Properties | Image |
MNX_ID | MNXM105077 |
 |
reference | chebi:70181 |
formula | C12H13N3O5 |
global charge | 0 |
mol weight | 279.252 |
InChIKey | XWKNZWMZVKJEKJ-VGOFMYFVSA-N |
InChI | InChI=1S/C12H13N3O5/c1-7(11(18)13-6-10(16)17)14-15-9-5-3-2-4-8(9)12(19)20/h2-5,15H,6H2,1H3,(H,13,18)(H,16,17)(H,19,20)/b14-7+ |
SMILES | C/C(=N\NC1=C(C(=O)O)C=CC=C1)C(=O)NCC(=O)O |
MNX internals
InChI (mnx) | InChI=1/C12H13N3O5/c1-7(11(18)13-6-10(16)17)14-15-9-5-3-2-4-8(9)12(19)20/h2-5,15H,6H2,1H3,(H,13,18)(H,16,17)(H,19,20)/b14-7+ |
 |
SMILES (mnx) | [CH3:1][C:7](/[C:11](=[N:13]/[CH2:6][C:10](=[O:16])[OH:17])[OH:18])=[N:14]\[NH:15][C:9]1=[CH:5][CH:3]=[CH:2][CH:4]=[C:8]1[C:12](=[O:19])[OH:20] |
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