4-(3,4-dimethoxyphenyl)-4-isocyanato-cyclohexan-1-one

Systemtic Name: 4-(3,4-dimethoxyphenyl)-4-isocyanato-cyclohexan-1-one Openeye Name: 4-(3,4-dimethoxyphenyl)-4-isocyanato-cyclohexanone CAS Name: 4-(3,4-dimethoxyphenyl)-4-isocyanato-1-cyclohexanone IUPAC Name: 4-(3,4-dimethoxyphenyl)-4-isocyanatocyclohexan-1-one Traditional Name: 4-(3,4-dimethoxyphenyl)-4-isocyanato-cyclohexanone Formula: C15H17NO4 MolecularWeight: 275.29978

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2(CCC(=O)CC2)N=C=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2(CCC(=O)CC2)N=C=O)OC

InChI

InChI=1S/C15H17NO4/c1-19-13-4-3-11(9-14(13)20-2)15(16-10-17)7-5-12(18)6-8-15/h3-4,9H,5-8H2,1-2H3