3-chloranyl-4-(3-chloranyl-2-nitro-phenyl)-1H-pyrrole; 2-methyl-2-oxidanyl-3-oxidanylidene-butanoate

Systemtic Name: 3-chloranyl-4-(3-chloranyl-2-nitro-phenyl)-1H-pyrrole; 2-methyl-2-oxidanyl-3-oxidanylidene-butanoate Openeye Name: 3-chloro-4-(3-chloro-2-nitro-phenyl)-1H-pyrrole; 2-hydroxy-2-methyl-3-oxo-butanoate CAS Name: 3-chloro-4-(3-chloro-2-nitrophenyl)-1H-pyrrole; 2-hydroxy-2-methyl-3-oxobutanoate IUPAC Name: 3-chloro-4-(3-chloro-2-nitrophenyl)-1H-pyrrole; 2-hydroxy-2-methyl-3-oxobutanoate Traditional Name: 3-chloro-4-(3-chloro-2-nitro-phenyl)-1H-pyrrole; 2-hydroxy-3-keto-2-methyl-butyrate Formula: C15H13Cl2N2O6- MolecularWeight: 388.17952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H6Cl2N2O2.C5H8O4/c11-8-3-1-2-6(10(8)14(15)16)7-4-13-5-9(7)12;1-3(6)5(2,9)4(7)8/h1-5,13H;9H,1-2H3,(H,7,8)/p-1