(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 2-[(4-phenoxyphenyl)carbonylamino]ethanoate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 2-[(4-phenoxyphenyl)carbonylamino]ethanoate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 2-[(4-phenoxybenzoyl)amino]acetate CAS Name: 2-[[oxo-(4-phenoxyphenyl)methyl]amino]acetic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 2-[(4-phenoxybenzoyl)amino]acetate Traditional Name: 2-[(4-phenoxybenzoyl)amino]acetic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C21H19N3O5 MolecularWeight: 393.39266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)COC(=O)CNC(=O)C1=CC=C(C=C1)OC2=CC=CC=C2

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC(=O)CNC(=O)C1=CC=C(C=C1)OC2=CC=CC=C2

InChI

InChI=1S/C21H19N3O5/c1-14(23)18(11-22)19(25)13-28-20(26)12-24-21(27)15-7-9-17(10-8-15)29-16-5-3-2-4-6-16/h2-10,18,23H,12-13H2,1H3,(H,24,27)