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

Systemtic Name: [2,5-bis(oxidanylidene)pyrrol-1-yl] 3-[4-(2-pyren-1-ylethynyl)phenyl]propanoate Openeye Name: (2,5-dioxopyrrol-1-yl) 3-[4-(2-pyren-1-ylethynyl)phenyl]propanoate CAS Name: 3-[4-[2-(1-pyrenyl)ethynyl]phenyl]propanoic acid (2,5-dioxo-1-pyrrolyl) ester IUPAC Name: (2,5-dioxopyrrol-1-yl) 3-[4-(2-pyren-1-ylethynyl)phenyl]propanoate Traditional Name: 3-[4-(2-pyren-1-ylethynyl)phenyl]propionic acid maleimido ester Formula: C31H19NO4 MolecularWeight: 469.48686

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)C#CC5=CC=C(C=C5)CCC(=O)ON6C(=O)C=CC6=O

Isomeric SMILES

C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)C#CC5=CC=C(C=C5)CCC(=O)ON6C(=O)C=CC6=O

InChI

InChI=1S/C31H19NO4/c33-27-17-18-28(34)32(27)36-29(35)19-9-21-6-4-20(5-7-21)8-10-22-11-12-25-14-13-23-2-1-3-24-15-16-26(22)31(25)30(23)24/h1-7,11-18H,9,19H2