(6-oxidanylidenebenzo[c]chromen-3-yl) (E)-3-(4-butoxyphenyl)-2-cyano-prop-2-enoate

Systemtic Name: (6-oxidanylidenebenzo[c]chromen-3-yl) (E)-3-(4-butoxyphenyl)-2-cyano-prop-2-enoate Openeye Name: (6-oxobenzo[c]chromen-3-yl) (E)-3-(4-butoxyphenyl)-2-cyano-prop-2-enoate CAS Name: (E)-3-(4-butoxyphenyl)-2-cyano-2-propenoic acid (6-oxo-3-benzo[c][1]benzopyranyl) ester IUPAC Name: (6-oxobenzo[c]chromen-3-yl) (E)-3-(4-butoxyphenyl)-2-cyanoprop-2-enoate Traditional Name: (E)-3-(4-butoxyphenyl)-2-cyano-acrylic acid (6-ketobenzo[c]chromen-3-yl) ester Formula: C27H21NO5 MolecularWeight: 439.45934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C=C(C#N)C(=O)OC2=CC3=C(C=C2)C4=CC=CC=C4C(=O)O3

Isomeric SMILES

CCCCOC1=CC=C(C=C1)/C=C(\C#N)/C(=O)OC2=CC3=C(C=C2)C4=CC=CC=C4C(=O)O3

InChI

InChI=1S/C27H21NO5/c1-2-3-14-31-20-10-8-18(9-11-20)15-19(17-28)26(29)32-21-12-13-23-22-6-4-5-7-24(22)27(30)33-25(23)16-21/h4-13,15-16H,2-3,14H2,1H3/b19-15+