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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)COC(=O)C1=CC=CC=C1Br

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC(=O)C1=CC=CC=C1Br

InChI

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