2-ethylhexyl (9E)-9-[cyano(isocyano)methylidene]fluorene-4-carboxylate

Systemtic Name: 2-ethylhexyl (9E)-9-[cyano(isocyano)methylidene]fluorene-4-carboxylate Openeye Name: 2-ethylhexyl (9E)-9-[cyano(isocyano)methylene]fluorene-4-carboxylate CAS Name: (9E)-9-[cyano(isocyano)methylidene]-4-fluorenecarboxylic acid 2-ethylhexyl ester IUPAC Name: 2-ethylhexyl (9E)-9-[cyano(isocyano)methylidene]fluorene-4-carboxylate Traditional Name: (9E)-9-[cyano(isocyano)methylene]fluorene-4-carboxylic acid 2-ethylhexyl ester Formula: C25H24N2O2 MolecularWeight: 384.47026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)COC(=O)C1=CC=CC2=C1C3=CC=CC=C3C2=C(C#N)[N+]#[C-]

Isomeric SMILES

CCCCC(CC)COC(=O)C1=CC=CC\2=C1C3=CC=CC=C3/C2=C(/C#N)\[N+]#[C-]

InChI

InChI=1S/C25H24N2O2/c1-4-6-10-17(5-2)16-29-25(28)21-14-9-13-20-23(21)18-11-7-8-12-19(18)24(20)22(15-26)27-3/h7-9,11-14,17H,4-6,10,16H2,1-2H3/b24-22+