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

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ChEBI Name (2S,3R,4R)-1-(1,3-benzodioxole-5-carbonyl)-4-(hydroxymethyl)-3-phenylazetidine-2-carbonitrile
ChEBI ID CHEBI:98569
Stars This entity has been manually annotated by a third party.
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Formula C19H16N2O4
Net Charge 0
Average Mass 336.342
Monoisotopic Mass 336.11101
InChI InChI=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
InChIKey NUSFKYNBTAYYBW-RVKKMQEKSA-N
SMILES C1OC2=C(O1)C=C(C=C2)C(=O)N3[C@H]([C@@H]([C@H]3C#N)C4=CC=CC=C4)CO
ChEBI Ontology
Outgoing (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)
Manual Xref Database
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