1-isocyanato-2-phenyl-pentan-1-one

Systemtic Name: 1-isocyanato-2-phenyl-pentan-1-one Openeye Name: 2-phenylpentanoyl isocyanate CAS Name: 1-isocyanato-2-phenyl-1-pentanone IUPAC Name: 2-phenylpentanoyl isocyanate Traditional Name: 1-isocyanato-2-phenyl-pentan-1-one Formula: C12H13NO2 MolecularWeight: 203.23712

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1)C(=O)N=C=O

Isomeric SMILES

CCCC(C1=CC=CC=C1)C(=O)N=C=O

InChI

InChI=1S/C12H13NO2/c1-2-6-11(12(15)13-9-14)10-7-4-3-5-8-10/h3-5,7-8,11H,2,6H2,1H3