3-oxidanyl-3-pyren-1-yl-propanenitrile

Systemtic Name: 3-oxidanyl-3-pyren-1-yl-propanenitrile Openeye Name: 3-hydroxy-3-pyren-1-yl-propanenitrile CAS Name: 3-hydroxy-3-(1-pyrenyl)propanenitrile IUPAC Name: 3-hydroxy-3-pyren-1-ylpropanenitrile Traditional Name: 3-hydroxy-3-pyren-1-yl-propionitrile Formula: C19H13NO MolecularWeight: 271.31262

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)C(CC#N)O

Isomeric SMILES

C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)C(CC#N)O

InChI

InChI=1S/C19H13NO/c20-11-10-17(21)15-8-6-14-5-4-12-2-1-3-13-7-9-16(15)19(14)18(12)13/h1-9,17,21H,10H2