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

Systemtic Name: 3-chloranyl-4-(3-chloranyl-2-nitro-phenyl)-1H-pyrrole; 2-oxidanylidenepentanedioate Openeye Name: 3-chloro-4-(3-chloro-2-nitro-phenyl)-1H-pyrrole; 2-oxopentanedioate CAS Name: 3-chloro-4-(3-chloro-2-nitrophenyl)-1H-pyrrole; 2-oxopentanedioate IUPAC Name: 3-chloro-4-(3-chloro-2-nitrophenyl)-1H-pyrrole; 2-oxopentanedioate Traditional Name: 3-chloro-4-(3-chloro-2-nitro-phenyl)-1H-pyrrole; 2-ketoglutarate Formula: C15H10Cl2N2O7-2 MolecularWeight: 401.1551

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H6Cl2N2O2.C5H6O5/c11-8-3-1-2-6(10(8)14(15)16)7-4-13-5-9(7)12;6-3(5(9)10)1-2-4(7)8/h1-5,13H;1-2H2,(H,7,8)(H,9,10)/p-2