2-[(3-methanoylphenyl)methyl]-3-oxidanyl-pent-4-enenitrile

Systemtic Name: 2-[(3-methanoylphenyl)methyl]-3-oxidanyl-pent-4-enenitrile Openeye Name: 2-[(3-formylphenyl)methyl]-3-hydroxy-pent-4-enenitrile CAS Name: 2-[(3-formylphenyl)methyl]-3-hydroxy-4-pentenenitrile IUPAC Name: 2-[(3-formylphenyl)methyl]-3-hydroxypent-4-enenitrile Traditional Name: 2-(3-formylbenzyl)-3-hydroxy-pent-4-enenitrile Formula: C13H13NO2 MolecularWeight: 215.24782

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(C(CC1=CC=CC(=C1)C=O)C#N)O

Isomeric SMILES

C=CC(C(CC1=CC=CC(=C1)C=O)C#N)O

InChI

InChI=1S/C13H13NO2/c1-2-13(16)12(8-14)7-10-4-3-5-11(6-10)9-15/h2-6,9,12-13,16H,1,7H2