[(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 2-[2-(phenylmethyl)phenoxy]ethanoate

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 2-[2-(phenylmethyl)phenoxy]ethanoate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] 2-(2-benzylphenoxy)acetate CAS Name: 2-[2-(phenylmethyl)phenoxy]acetic acid [(E)-4-amino-3-cyano-2-oxopent-3-enyl] ester IUPAC Name: [(E)-4-amino-3-cyano-2-oxopent-3-enyl] 2-(2-benzylphenoxy)acetate Traditional Name: 2-(2-benzylphenoxy)acetic acid [(E)-4-amino-3-cyano-2-keto-pent-3-enyl] ester Formula: C21H20N2O4 MolecularWeight: 364.3945

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)COC(=O)COC1=CC=CC=C1CC2=CC=CC=C2)N

Isomeric SMILES

C/C(=C(/C#N)\C(=O)COC(=O)COC1=CC=CC=C1CC2=CC=CC=C2)/N

InChI

InChI=1S/C21H20N2O4/c1-15(23)18(12-22)19(24)13-27-21(25)14-26-20-10-6-5-9-17(20)11-16-7-3-2-4-8-16/h2-10H,11,13-14,23H2,1H3/b18-15+