EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:97384 - (2S,3R,4S)-1-(1,3-benzodioxole-5-carbonyl)-4-(hydroxymethyl)-3-phenylazetidine-2-carbonitrile

ChEBI IDCHEBI:97384
ChEBI Name(2S,3R,4S)-1-(1,3-benzodioxole-5-carbonyl)-4-(hydroxymethyl)-3-phenylazetidine-2-carbonitrile
Stars
DownloadsMolfile
FormulaC19H16N2O4
Net Charge0
Average Mass336.347
Monoisotopic Mass336.11101
SMILESN#C[C@@H]1[C@@H](c2ccccc2)[C@@H](CO)N1C(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C19H16N2O4/c20-9-14-18(12-4-2-1-3-5-12)15(10-22)21(14)19(23)13-6-7-16-17(8-13)25-11-24-16/h1-8,14-15,18,22H,10-11H2/t14-,15-,18-/m1/s1
InChIKeyNUSFKYNBTAYYBW-IIDMSEBBSA-N
ChEBI Ontology
Outgoing Relation(s)
(2S,3R,4S)-1-(1,3-benzodioxole-5-carbonyl)-4-(hydroxymethyl)-3-phenylazetidine-2-carbonitrile (CHEBI:97384) is a azetidines (CHEBI:38777)
(2S,3R,4S)-1-(1,3-benzodioxole-5-carbonyl)-4-(hydroxymethyl)-3-phenylazetidine-2-carbonitrile (CHEBI:97384) is a benzenes (CHEBI:22712)
(2S,3R,4S)-1-(1,3-benzodioxole-5-carbonyl)-4-(hydroxymethyl)-3-phenylazetidine-2-carbonitrile (CHEBI:97384) is a ring assembly (CHEBI:36820)
Manual XrefsDatabases
LSM-8763LINCS