(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 5-bromanyl-2-oxidanyl-benzoate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 5-bromanyl-2-oxidanyl-benzoate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 5-bromo-2-hydroxy-benzoate CAS Name: 5-bromo-2-hydroxybenzoic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 5-bromo-2-hydroxybenzoate Traditional Name: 5-bromo-2-hydroxy-benzoic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C13H11BrN2O4 MolecularWeight: 339.14144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11BrN2O4/c1-7(16)10(5-15)12(18)6-20-13(19)9-4-8(14)2-3-11(9)17/h2-4,10,16-17H,6H2,1H3