[(E)-[cyano(diethoxyphosphoryl)methylidene]amino] 2-chloranyl-4-nitro-benzoate

Systemtic Name: [(E)-[cyano(diethoxyphosphoryl)methylidene]amino] 2-chloranyl-4-nitro-benzoate Openeye Name: [(E)-[cyano(diethoxyphosphoryl)methylene]amino] 2-chloro-4-nitro-benzoate CAS Name: 2-chloro-4-nitrobenzoic acid [(E)-[cyano(diethoxyphosphoryl)methylidene]amino] ester IUPAC Name: [(E)-[cyano(diethoxyphosphoryl)methylidene]amino] 2-chloro-4-nitrobenzoate Traditional Name: 2-chloro-4-nitro-benzoic acid [(E)-[cyano(diethoxyphosphoryl)methylene]amino] ester Formula: C13H13ClN3O7P MolecularWeight: 389.684981

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(=NOC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])Cl)C#N)OCC

Isomeric SMILES

CCOP(=O)(/C(=N/OC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])Cl)/C#N)OCC

InChI

InChI=1S/C13H13ClN3O7P/c1-3-22-25(21,23-4-2)12(8-15)16-24-13(18)10-6-5-9(17(19)20)7-11(10)14/h5-7H,3-4H2,1-2H3/b16-12+