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CHEBI:98569 - (2S,3R,4R)-1-(1,3-benzodioxole-5-carbonyl)-4-(hydroxymethyl)-3-phenylazetidine-2-carbonitrile

ChEBI IDCHEBI:98569
ChEBI Name(2S,3R,4R)-1-(1,3-benzodioxole-5-carbonyl)-4-(hydroxymethyl)-3-phenylazetidine-2-carbonitrile
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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-RVKKMQEKSA-N
ChEBI Ontology
Outgoing Relation(s)
(2S,3R,4R)-1-(1,3-benzodioxole-5-carbonyl)-4-(hydroxymethyl)-3-phenylazetidine-2-carbonitrile (CHEBI:98569) is a azetidines (CHEBI:38777)
(2S,3R,4R)-1-(1,3-benzodioxole-5-carbonyl)-4-(hydroxymethyl)-3-phenylazetidine-2-carbonitrile (CHEBI:98569) is a benzenes (CHEBI:22712)
(2S,3R,4R)-1-(1,3-benzodioxole-5-carbonyl)-4-(hydroxymethyl)-3-phenylazetidine-2-carbonitrile (CHEBI:98569) is a ring assembly (CHEBI:36820)
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