2-[(2,5-dimethylphenyl)-oxidanyl-methyl]prop-2-enenitrile

Systemtic Name: 2-[(2,5-dimethylphenyl)-oxidanyl-methyl]prop-2-enenitrile Openeye Name: 2-[(2,5-dimethylphenyl)-hydroxy-methyl]prop-2-enenitrile CAS Name: 2-[(2,5-dimethylphenyl)-hydroxymethyl]-2-propenenitrile IUPAC Name: 2-[(2,5-dimethylphenyl)-hydroxymethyl]prop-2-enenitrile Traditional Name: 2-[(2,5-dimethylphenyl)-hydroxy-methyl]acrylonitrile Formula: C12H13NO MolecularWeight: 187.23772

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO/c1-8-4-5-9(2)11(6-8)12(14)10(3)7-13/h4-6,12,14H,3H2,1-2H3