5,6-bis(oxidanyl)cyclohexa-1,3-diene-1-carboxylate; 3-chloranyl-4-(3-chloranyl-2-nitro-phenyl)-1H-pyrrole

Systemtic Name: 5,6-bis(oxidanyl)cyclohexa-1,3-diene-1-carboxylate; 3-chloranyl-4-(3-chloranyl-2-nitro-phenyl)-1H-pyrrole Openeye Name: 3-chloro-4-(3-chloro-2-nitro-phenyl)-1H-pyrrole; 5,6-dihydroxycyclohexa-1,3-diene-1-carboxylate CAS Name: 3-chloro-4-(3-chloro-2-nitrophenyl)-1H-pyrrole; 5,6-dihydroxy-1-cyclohexa-1,3-dienecarboxylate IUPAC Name: 3-chloro-4-(3-chloro-2-nitrophenyl)-1H-pyrrole; 5,6-dihydroxycyclohexa-1,3-diene-1-carboxylate Traditional Name: 3-chloro-4-(3-chloro-2-nitro-phenyl)-1H-pyrrole; 5,6-dihydroxycyclohexa-1,3-diene-1-carboxylate Formula: C17H13Cl2N2O6- MolecularWeight: 412.20092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H6Cl2N2O2.C7H8O4/c11-8-3-1-2-6(10(8)14(15)16)7-4-13-5-9(7)12;8-5-3-1-2-4(6(5)9)7(10)11/h1-5,13H;1-3,5-6,8-9H,(H,10,11)/p-1