3-chloranyl-4-(3-chloranyl-2-nitro-phenyl)-1H-pyrrole; pyrimidin-2-ylmethylphosphonic acid

Systemtic Name: 3-chloranyl-4-(3-chloranyl-2-nitro-phenyl)-1H-pyrrole; pyrimidin-2-ylmethylphosphonic acid Openeye Name: 3-chloro-4-(3-chloro-2-nitro-phenyl)-1H-pyrrole; pyrimidin-2-ylmethylphosphonic acid CAS Name: 3-chloro-4-(3-chloro-2-nitrophenyl)-1H-pyrrole; 2-pyrimidinylmethylphosphonic acid IUPAC Name: 3-chloro-4-(3-chloro-2-nitrophenyl)-1H-pyrrole; pyrimidin-2-ylmethylphosphonic acid Traditional Name: 3-chloro-4-(3-chloro-2-nitro-phenyl)-1H-pyrrole; 2-pyrimidylmethylphosphonic acid Formula: C15H13Cl2N4O5P MolecularWeight: 431.167281

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H6Cl2N2O2.C5H7N2O3P/c11-8-3-1-2-6(10(8)14(15)16)7-4-13-5-9(7)12;8-11(9,10)4-5-6-2-1-3-7-5/h1-5,13H;1-3H,4H2,(H2,8,9,10)