3-[(1E,3E,5E)-6-cyano-7-(1H-inden-2-yl)-7-oxidanylidene-hepta-1,3,5-trienyl]-1-ethyl-indol-2-olate

Systemtic Name: 3-[(1E,3E,5E)-6-cyano-7-(1H-inden-2-yl)-7-oxidanylidene-hepta-1,3,5-trienyl]-1-ethyl-indol-2-olate Openeye Name: 3-[(1E,3E,5E)-6-cyano-7-(1H-inden-2-yl)-7-oxo-hepta-1,3,5-trienyl]-1-ethyl-indol-2-olate CAS Name: 3-[(1E,3E,5E)-6-cyano-7-(1H-inden-2-yl)-7-oxohepta-1,3,5-trienyl]-1-ethyl-2-indololate IUPAC Name: 3-[(1E,3E,5E)-6-cyano-7-(1H-inden-2-yl)-7-oxohepta-1,3,5-trienyl]-1-ethylindol-2-olate Traditional Name: 3-[(1E,3E,5E)-6-cyano-7-(1H-inden-2-yl)-7-keto-hepta-1,3,5-trienyl]-1-ethyl-indol-2-olate Formula: C27H21N2O2- MolecularWeight: 405.46784

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2C(=C1[O-])C=CC=CC=C(C#N)C(=O)C3=CC4=CC=CC=C4C3

Isomeric SMILES

CCN1C2=CC=CC=C2C(=C1[O-])/C=C/C=C/C=C(\C#N)/C(=O)C3=CC4=CC=CC=C4C3

InChI

InChI=1S/C27H22N2O2/c1-2-29-25-15-9-8-13-23(25)24(27(29)31)14-5-3-4-12-21(18-28)26(30)22-16-19-10-6-7-11-20(19)17-22/h3-16,31H,2,17H2,1H3/p-1/b4-3+,14-5+,21-12+