[(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 4-butoxybenzoate

Systemtic Name: [(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 4-butoxybenzoate Openeye Name: [(3R)-3-cyano-4-imino-2-oxo-pentyl] 4-butoxybenzoate CAS Name: 4-butoxybenzoic acid [(3R)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3R)-3-cyano-4-imino-2-oxopentyl] 4-butoxybenzoate Traditional Name: 4-butoxybenzoic acid [(3R)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C17H20N2O4 MolecularWeight: 316.3517

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)OCC(=O)C(C#N)C(=N)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)OCC(=O)[C@@H](C#N)C(=N)C

InChI

InChI=1S/C17H20N2O4/c1-3-4-9-22-14-7-5-13(6-8-14)17(21)23-11-16(20)15(10-18)12(2)19/h5-8,15,19H,3-4,9,11H2,1-2H3/t15-/m0/s1