CHEBI:97121 - (2R,3S,4R)-1-[1,3-benzodioxol-5-yl(oxo)methyl]-4-(hydroxymethyl)-3-phenyl-2-azetidinecarbonitrile

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ChEBI Name (2R,3S,4R)-1-[1,3-benzodioxol-5-yl(oxo)methyl]-4-(hydroxymethyl)-3-phenyl-2-azetidinecarbonitrile ChEBI ID CHEBI:97121 Stars This entity has been manually annotated by a third party. Supplier Information ChemicalBook:CB3853625, eMolecules:478578, ZINC000001532732 Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search 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-/m0/s1 InChIKey NUSFKYNBTAYYBW-MPGHIAIKSA-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 (2R,3S,4R)-1-[1,3-benzodioxol-5-yl(oxo)methyl]-4-(hydroxymethyl)-3-phenyl-2-azetidinecarbonitrile (CHEBI:97121) is a azetidines (CHEBI:38777) (2R,3S,4R)-1-[1,3-benzodioxol-5-yl(oxo)methyl]-4-(hydroxymethyl)-3-phenyl-2-azetidinecarbonitrile (CHEBI:97121) is a benzenes (CHEBI:22712) (2R,3S,4R)-1-[1,3-benzodioxol-5-yl(oxo)methyl]-4-(hydroxymethyl)-3-phenyl-2-azetidinecarbonitrile (CHEBI:97121) is a ring assembly (CHEBI:36820) Manual Xref Database LSM-8500 LINCS View more database links