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compound 0102445

PropertiesImage
MNX_IDMNXM1169976 Image of MNXM1169976
referenceenvipathM:...e8816a4da9cd
formulaC12H21N2O5
global charge-1
mol weight273.309
InChIKeyNWVSHBCPLQUDER-UHFFFAOYSA-M
InChIInChI=1S/C12H22N2O5/c1-4-14(5-2)8-10(16)13-9(6-7-15)12(3,19)11(17)18/h7,9,19H,4-6,8H2,1-3H3,(H,13,16)(H,17,18)/p-1
SMILESCCN(CC)C/C(O)=N/C(CC=O)C(C)(O)C(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C12H22N2O5/c1-4-14(5-2)8-10(16)13-9(6-7-15)12(3,19)11(17)18/h7,9,19H,4-6,8H2,1-3H3,(H,13,16)(H,17,18)/t9?,12? Image of MNXM1169976
SMILES (mnx)[CH3:1][CH2:4][N:14]([CH2:5][CH3:2])[CH2:8][C:10](=[N:13][CH:9]([CH2:6][CH:7]=[O:15])[C:12]([CH3:3])([C:11](=[O:17])[OH:18])[OH:19])[OH:16]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

envipath:...e8816a4da9cd
envipathM:...e8816a4da9cd
NWVSHBCPLQUDER-UHFFFAOYSA-M
compound 0102445