1-(4-isocyano-2,6-dimethyl-phenyl)propan-2-one

Systemtic Name: 1-(4-isocyano-2,6-dimethyl-phenyl)propan-2-one Openeye Name: 1-(4-isocyano-2,6-dimethyl-phenyl)propan-2-one CAS Name: 1-(4-isocyano-2,6-dimethylphenyl)-2-propanone IUPAC Name: 1-(4-isocyano-2,6-dimethylphenyl)propan-2-one Traditional Name: 1-(4-isocyano-2,6-dimethyl-phenyl)acetone Formula: C12H13NO MolecularWeight: 187.23772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CC(=O)C)C)[N+]#[C-]

Isomeric SMILES

CC1=CC(=CC(=C1CC(=O)C)C)[N+]#[C-]

InChI

InChI=1S/C12H13NO/c1-8-5-11(13-4)6-9(2)12(8)7-10(3)14/h5-6H,7H2,1-3H3