4-(3-carbazol-9-ylprop-1-ynyl)-2,3-dimethoxy-4-oxidanyl-cyclobut-2-en-1-one

Systemtic Name: 4-(3-carbazol-9-ylprop-1-ynyl)-2,3-dimethoxy-4-oxidanyl-cyclobut-2-en-1-one Openeye Name: 4-(3-carbazol-9-ylprop-1-ynyl)-4-hydroxy-2,3-dimethoxy-cyclobut-2-en-1-one CAS Name: 4-[3-(9-carbazolyl)prop-1-ynyl]-4-hydroxy-2,3-dimethoxy-1-cyclobut-2-enone IUPAC Name: 4-(3-carbazol-9-ylprop-1-ynyl)-4-hydroxy-2,3-dimethoxycyclobut-2-en-1-one Traditional Name: 4-(3-carbazol-9-ylprop-1-ynyl)-4-hydroxy-2,3-dimethoxy-cyclobut-2-en-1-one Formula: C21H17NO4 MolecularWeight: 347.36398

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(C1=O)(C#CCN2C3=CC=CC=C3C4=CC=CC=C42)O)OC

Isomeric SMILES

COC1=C(C(C1=O)(C#CCN2C3=CC=CC=C3C4=CC=CC=C42)O)OC

InChI

InChI=1S/C21H17NO4/c1-25-18-19(23)21(24,20(18)26-2)12-7-13-22-16-10-5-3-8-14(16)15-9-4-6-11-17(15)22/h3-6,8-11,24H,13H2,1-2H3