4-isocyanato-4-(3-methylphenyl)cyclohexan-1-one

Systemtic Name: 4-isocyanato-4-(3-methylphenyl)cyclohexan-1-one Openeye Name: 4-isocyanato-4-(m-tolyl)cyclohexanone CAS Name: 4-isocyanato-4-(3-methylphenyl)-1-cyclohexanone IUPAC Name: 4-isocyanato-4-(3-methylphenyl)cyclohexan-1-one Traditional Name: 4-isocyanato-4-(m-tolyl)cyclohexanone Formula: C14H15NO2 MolecularWeight: 229.2744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2(CCC(=O)CC2)N=C=O

Isomeric SMILES

CC1=CC=CC(=C1)C2(CCC(=O)CC2)N=C=O

InChI

InChI=1S/C14H15NO2/c1-11-3-2-4-12(9-11)14(15-10-16)7-5-13(17)6-8-14/h2-4,9H,5-8H2,1H3