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

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 5-bromanyl-2-chloranyl-benzoate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 5-bromo-2-chloro-benzoate CAS Name: 5-bromo-2-chlorobenzoic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 5-bromo-2-chlorobenzoate Traditional Name: 5-bromo-2-chloro-benzoic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C13H10BrClN2O3 MolecularWeight: 357.5871

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H10BrClN2O3/c1-7(17)10(5-16)12(18)6-20-13(19)9-4-8(14)2-3-11(9)15/h2-4,10,17H,6H2,1H3