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

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 4-(dimethylamino)benzoate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 4-(dimethylamino)benzoate CAS Name: 4-(dimethylamino)benzoic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 4-(dimethylamino)benzoate Traditional Name: 4-(dimethylamino)benzoic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C15H17N3O3 MolecularWeight: 287.31378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)COC(=O)C1=CC=C(C=C1)N(C)C

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC(=O)C1=CC=C(C=C1)N(C)C

InChI

InChI=1S/C15H17N3O3/c1-10(17)13(8-16)14(19)9-21-15(20)11-4-6-12(7-5-11)18(2)3/h4-7,13,17H,9H2,1-3H3