3-chloranyl-4-(3-chloranyl-2-nitro-phenyl)-1H-pyrrole; (E)-2-oxidanylidenehept-3-enedioate

Systemtic Name: 3-chloranyl-4-(3-chloranyl-2-nitro-phenyl)-1H-pyrrole; (E)-2-oxidanylidenehept-3-enedioate Openeye Name: 3-chloro-4-(3-chloro-2-nitro-phenyl)-1H-pyrrole; (E)-2-oxohept-3-enedioate CAS Name: 3-chloro-4-(3-chloro-2-nitrophenyl)-1H-pyrrole; (E)-2-oxo-3-heptenedioate IUPAC Name: 3-chloro-4-(3-chloro-2-nitrophenyl)-1H-pyrrole; (E)-2-oxohept-3-enedioate Traditional Name: 3-chloro-4-(3-chloro-2-nitro-phenyl)-1H-pyrrole; (E)-2-ketohept-3-enedioate Formula: C17H12Cl2N2O7-2 MolecularWeight: 427.19238

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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=CC(=O)C(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C10H6Cl2N2O2.C7H8O5/c11-8-3-1-2-6(10(8)14(15)16)7-4-13-5-9(7)12;8-5(7(11)12)3-1-2-4-6(9)10/h1-5,13H;1,3H,2,4H2,(H,9,10)(H,11,12)/p-2/b;3-1+