3-chloranyl-4-(3-chloranyl-2-nitro-phenyl)-1H-pyrrole; (2-oxidanyl-3-oxidanylidene-butyl) phosphate

Systemtic Name: 3-chloranyl-4-(3-chloranyl-2-nitro-phenyl)-1H-pyrrole; (2-oxidanyl-3-oxidanylidene-butyl) phosphate Openeye Name: 3-chloro-4-(3-chloro-2-nitro-phenyl)-1H-pyrrole; (2-hydroxy-3-oxo-butyl) phosphate CAS Name: 3-chloro-4-(3-chloro-2-nitrophenyl)-1H-pyrrole; (2-hydroxy-3-oxobutyl) phosphate IUPAC Name: 3-chloro-4-(3-chloro-2-nitrophenyl)-1H-pyrrole; (2-hydroxy-3-oxobutyl) phosphate Traditional Name: 3-chloro-4-(3-chloro-2-nitro-phenyl)-1H-pyrrole; (2-hydroxy-3-keto-butyl) phosphate Formula: C14H13Cl2N2O8P-2 MolecularWeight: 439.141381

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(COP(=O)([O-])[O-])O.C1=CC(=C(C(=C1)Cl)[N+](=O)[O-])C2=CNC=C2Cl

Isomeric SMILES

CC(=O)C(COP(=O)([O-])[O-])O.C1=CC(=C(C(=C1)Cl)[N+](=O)[O-])C2=CNC=C2Cl

InChI

InChI=1S/C10H6Cl2N2O2.C4H9O6P/c11-8-3-1-2-6(10(8)14(15)16)7-4-13-5-9(7)12;1-3(5)4(6)2-10-11(7,8)9/h1-5,13H;4,6H,2H2,1H3,(H2,7,8,9)/p-2