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

Systemtic Name: 3-chloranyl-4-(3-chloranyl-2-nitro-phenyl)-1H-pyrrole; 2-oxidanylideneethylphosphonic acid Openeye Name: 3-chloro-4-(3-chloro-2-nitro-phenyl)-1H-pyrrole; 2-oxoethylphosphonic acid CAS Name: 3-chloro-4-(3-chloro-2-nitrophenyl)-1H-pyrrole; 2-oxoethylphosphonic acid IUPAC Name: 3-chloro-4-(3-chloro-2-nitrophenyl)-1H-pyrrole; 2-oxoethylphosphonic acid Traditional Name: 3-chloro-4-(3-chloro-2-nitro-phenyl)-1H-pyrrole; 2-ketoethylphosphonic acid Formula: C12H11Cl2N2O6P MolecularWeight: 381.105301

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H6Cl2N2O2.C2H5O4P/c11-8-3-1-2-6(10(8)14(15)16)7-4-13-5-9(7)12;3-1-2-7(4,5)6/h1-5,13H;1H,2H2,(H2,4,5,6)