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

Systemtic Name: 1-(4-isocyanato-2,6-dimethyl-phenyl)propan-1-one Openeye Name: 1-(4-isocyanato-2,6-dimethyl-phenyl)propan-1-one CAS Name: 1-(4-isocyanato-2,6-dimethylphenyl)-1-propanone IUPAC Name: 1-(4-isocyanato-2,6-dimethylphenyl)propan-1-one Traditional Name: 1-(4-isocyanato-2,6-dimethyl-phenyl)propan-1-one Formula: C12H13NO2 MolecularWeight: 203.23712

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=C(C=C(C=C1C)N=C=O)C

Isomeric SMILES

CCC(=O)C1=C(C=C(C=C1C)N=C=O)C

InChI

InChI=1S/C12H13NO2/c1-4-11(15)12-8(2)5-10(13-7-14)6-9(12)3/h5-6H,4H2,1-3H3