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3,4-dimethylindole-2-carboxylate

PropertiesImage
MNX_IDMNXM150781 Image of MNXM150781
referencechebi:87160
formulaC11H10NO2
global charge-1
mol weight188.206
InChIKeyAYWHJTCRGGXKSW-UHFFFAOYSA-M
InChIInChI=1S/C11H11NO2/c1-6-4-3-5-8-9(6)7(2)10(12-8)11(13)14/h3-5,12H,1-2H3,(H,13,14)/p-1
SMILESCC1=C2C(=CC=C1)NC(C(=O)[O-])=C2C
MNX internals
InChI (mnx)InChI=1/C11H11NO2/c1-6-4-3-5-8-9(6)7(2)10(12-8)11(13)14/h3-5,12H,1-2H3,(H,13,14) Image of MNXM150781
SMILES (mnx)[CH3:1][C:6]1=[C:9]2[C:7]([CH3:2])=[C:10]([C:11](=[O:13])[OH:14])[NH:12][C:8]2=[CH:5][CH:3]=[CH:4]1
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

CHEBI:87160
chebi:87160
AYWHJTCRGGXKSW-UHFFFAOYSA-M
3,4-dimethylindole-2-carboxylate
3,4-dimethyl-1H-indole-2-carboxylate
3,4-dimethyl-2-indolate

CHEBI:87459
chebi:87459
AYWHJTCRGGXKSW-UHFFFAOYSA-N
3,4-dimethylindole-2-carboxylic acid
3,4-dimethyl-1H-indole-2-carboxylic acid
3,4-dimethyl-2-indolic acid