[2,5-bis(oxidanylidene)pyrrol-1-yl] 3-[4-(2-anthracen-9-ylethynyl)phenyl]propanoate

Systemtic Name: [2,5-bis(oxidanylidene)pyrrol-1-yl] 3-[4-(2-anthracen-9-ylethynyl)phenyl]propanoate Openeye Name: (2,5-dioxopyrrol-1-yl) 3-[4-[2-(9-anthryl)ethynyl]phenyl]propanoate CAS Name: 3-[4-[2-(9-anthracenyl)ethynyl]phenyl]propanoic acid (2,5-dioxo-1-pyrrolyl) ester IUPAC Name: (2,5-dioxopyrrol-1-yl) 3-[4-(2-anthracen-9-ylethynyl)phenyl]propanoate Traditional Name: 3-[4-[2-(9-anthryl)ethynyl]phenyl]propionic acid maleimido ester Formula: C29H19NO4 MolecularWeight: 445.46546

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C3C=CC=CC3=C2C#CC4=CC=C(C=C4)CCC(=O)ON5C(=O)C=CC5=O

Isomeric SMILES

C1=CC=C2C(=C1)C=C3C=CC=CC3=C2C#CC4=CC=C(C=C4)CCC(=O)ON5C(=O)C=CC5=O

InChI

InChI=1S/C29H19NO4/c31-27-16-17-28(32)30(27)34-29(33)18-14-21-11-9-20(10-12-21)13-15-26-24-7-3-1-5-22(24)19-23-6-2-4-8-25(23)26/h1-12,16-17,19H,14,18H2