[(E)-(2-azanyl-1-diethoxyphosphoryl-2-oxidanylidene-ethylidene)amino] 2-bromanylbenzoate

Systemtic Name: [(E)-(2-azanyl-1-diethoxyphosphoryl-2-oxidanylidene-ethylidene)amino] 2-bromanylbenzoate Openeye Name: [(E)-(2-amino-1-diethoxyphosphoryl-2-oxo-ethylidene)amino] 2-bromobenzoate CAS Name: 2-bromobenzoic acid [(E)-(2-amino-1-diethoxyphosphoryl-2-oxoethylidene)amino] ester IUPAC Name: [(E)-(2-amino-1-diethoxyphosphoryl-2-oxoethylidene)amino] 2-bromobenzoate Traditional Name: 2-bromobenzoic acid [(E)-(2-amino-1-diethoxyphosphoryl-2-keto-ethylidene)amino] ester Formula: C13H16BrN2O6P MolecularWeight: 407.153701

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16BrN2O6P/c1-3-20-23(19,21-4-2)12(11(15)17)16-22-13(18)9-7-5-6-8-10(9)14/h5-8H,3-4H2,1-2H3,(H2,15,17)/b16-12+