4-[(E)-2,3-diisocyano-4-(4-methoxyphenyl)but-2-enyl]-4-oxidanyl-cyclohexan-1-one

Systemtic Name: 4-[(E)-2,3-diisocyano-4-(4-methoxyphenyl)but-2-enyl]-4-oxidanyl-cyclohexan-1-one Openeye Name: 4-[(E)-2,3-diisocyano-4-(4-methoxyphenyl)but-2-enyl]-4-hydroxy-cyclohexanone CAS Name: 4-[(E)-2,3-diisocyano-4-(4-methoxyphenyl)but-2-enyl]-4-hydroxy-1-cyclohexanone IUPAC Name: 4-[(E)-2,3-diisocyano-4-(4-methoxyphenyl)but-2-enyl]-4-hydroxycyclohexan-1-one Traditional Name: 4-[(E)-2,3-diisocyano-4-(4-methoxyphenyl)but-2-enyl]-4-hydroxy-cyclohexanone Formula: C19H20N2O3 MolecularWeight: 324.3737

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC(=C(CC2(CCC(=O)CC2)O)[N+]#[C-])[N+]#[C-]

Isomeric SMILES

COC1=CC=C(C=C1)C/C(=C(/CC2(CCC(=O)CC2)O)\[N+]#[C-])/[N+]#[C-]

InChI

InChI=1S/C19H20N2O3/c1-20-17(12-14-4-6-16(24-3)7-5-14)18(21-2)13-19(23)10-8-15(22)9-11-19/h4-7,23H,8-13H2,3H3/b18-17+