[(E)-[cyano(diethoxyphosphoryl)methylidene]amino] 2-bromanylbenzoate

Systemtic Name: [(E)-[cyano(diethoxyphosphoryl)methylidene]amino] 2-bromanylbenzoate Openeye Name: [(E)-[cyano(diethoxyphosphoryl)methylene]amino] 2-bromobenzoate CAS Name: 2-bromobenzoic acid [(E)-[cyano(diethoxyphosphoryl)methylidene]amino] ester IUPAC Name: [(E)-[cyano(diethoxyphosphoryl)methylidene]amino] 2-bromobenzoate Traditional Name: 2-bromobenzoic acid [(E)-[cyano(diethoxyphosphoryl)methylene]amino] ester Formula: C13H14BrN2O5P MolecularWeight: 389.138421

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(=NOC(=O)C1=CC=CC=C1Br)C#N)OCC

Isomeric SMILES

CCOP(=O)(/C(=N/OC(=O)C1=CC=CC=C1Br)/C#N)OCC

InChI

InChI=1S/C13H14BrN2O5P/c1-3-19-22(18,20-4-2)12(9-15)16-21-13(17)10-7-5-6-8-11(10)14/h5-8H,3-4H2,1-2H3/b16-12+