[(E)-(2-azanyl-1-diethoxyphosphoryl-2-oxidanylidene-ethylidene)amino] 2-chloranyl-4-nitro-benzoate

Systemtic Name: [(E)-(2-azanyl-1-diethoxyphosphoryl-2-oxidanylidene-ethylidene)amino] 2-chloranyl-4-nitro-benzoate Openeye Name: [(E)-(2-amino-1-diethoxyphosphoryl-2-oxo-ethylidene)amino] 2-chloro-4-nitro-benzoate CAS Name: 2-chloro-4-nitrobenzoic acid [(E)-(2-amino-1-diethoxyphosphoryl-2-oxoethylidene)amino] ester IUPAC Name: [(E)-(2-amino-1-diethoxyphosphoryl-2-oxoethylidene)amino] 2-chloro-4-nitrobenzoate Traditional Name: 2-chloro-4-nitro-benzoic acid [(E)-(2-amino-1-diethoxyphosphoryl-2-keto-ethylidene)amino] ester Formula: C13H15ClN3O8P MolecularWeight: 407.700261

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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(=O)N)OCC

Isomeric SMILES

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

InChI

InChI=1S/C13H15ClN3O8P/c1-3-23-26(22,24-4-2)12(11(15)18)16-25-13(19)9-6-5-8(17(20)21)7-10(9)14/h5-7H,3-4H2,1-2H3,(H2,15,18)/b16-12+