(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 2-(2-phenylethanoylamino)benzoate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 2-(2-phenylethanoylamino)benzoate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 2-[(2-phenylacetyl)amino]benzoate CAS Name: 2-[(1-oxo-2-phenylethyl)amino]benzoic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 2-[(2-phenylacetyl)amino]benzoate Traditional Name: 2-[(2-phenylacetyl)amino]benzoic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C21H19N3O4 MolecularWeight: 377.39326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)COC(=O)C1=CC=CC=C1NC(=O)CC2=CC=CC=C2

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC(=O)C1=CC=CC=C1NC(=O)CC2=CC=CC=C2

InChI

InChI=1S/C21H19N3O4/c1-14(23)17(12-22)19(25)13-28-21(27)16-9-5-6-10-18(16)24-20(26)11-15-7-3-2-4-8-15/h2-10,17,23H,11,13H2,1H3,(H,24,26)