(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 3-bromanylbenzoate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 3-bromanylbenzoate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 3-bromobenzoate CAS Name: 3-bromobenzoic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 3-bromobenzoate Traditional Name: 3-bromobenzoic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C13H11BrN2O3 MolecularWeight: 323.14204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11BrN2O3/c1-8(16)11(6-15)12(17)7-19-13(18)9-3-2-4-10(14)5-9/h2-5,11,16H,7H2,1H3