5-[(Z)-2,3-diisocyano-4-(4-methoxyphenyl)but-1-enyl]-2-methoxy-phenol

Systemtic Name: 5-[(Z)-2,3-diisocyano-4-(4-methoxyphenyl)but-1-enyl]-2-methoxy-phenol Openeye Name: 5-[(Z)-2,3-diisocyano-4-(4-methoxyphenyl)but-1-enyl]-2-methoxy-phenol CAS Name: 5-[(Z)-2,3-diisocyano-4-(4-methoxyphenyl)but-1-enyl]-2-methoxyphenol IUPAC Name: 5-[(Z)-2,3-diisocyano-4-(4-methoxyphenyl)but-1-enyl]-2-methoxyphenol Traditional Name: 5-[(Z)-2,3-diisocyano-4-(4-methoxyphenyl)but-1-enyl]-2-methoxy-phenol Formula: C20H18N2O3 MolecularWeight: 334.36852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC(C(=CC2=CC(=C(C=C2)OC)O)[N+]#[C-])[N+]#[C-]

Isomeric SMILES

COC1=CC=C(C=C1)CC(/C(=C/C2=CC(=C(C=C2)OC)O)/[N+]#[C-])[N+]#[C-]

InChI

InChI=1S/C20H18N2O3/c1-21-17(11-14-5-8-16(24-3)9-6-14)18(22-2)12-15-7-10-20(25-4)19(23)13-15/h5-10,12-13,17,23H,11H2,3-4H3/b18-12-