(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) (E)-3-(4-phenylmethoxyphenyl)prop-2-enoate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) (E)-3-(4-phenylmethoxyphenyl)prop-2-enoate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) (E)-3-(4-benzyloxyphenyl)prop-2-enoate CAS Name: (E)-3-(4-phenylmethoxyphenyl)-2-propenoic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) (E)-3-(4-phenylmethoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(4-benzoxyphenyl)acrylic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C22H20N2O4 MolecularWeight: 376.4052

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)COC(=O)C=CC1=CC=C(C=C1)OCC2=CC=CC=C2

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC(=O)/C=C/C1=CC=C(C=C1)OCC2=CC=CC=C2

InChI

InChI=1S/C22H20N2O4/c1-16(24)20(13-23)21(25)15-28-22(26)12-9-17-7-10-19(11-8-17)27-14-18-5-3-2-4-6-18/h2-12,20,24H,14-15H2,1H3/b12-9+,24-16?