3-chloranyl-4-(3-chloranyl-2-nitro-phenyl)-1H-pyrrole; 2-oxidanyl-3-propan-2-yl-butanedioate

Systemtic Name: 3-chloranyl-4-(3-chloranyl-2-nitro-phenyl)-1H-pyrrole; 2-oxidanyl-3-propan-2-yl-butanedioate Openeye Name: 3-chloro-4-(3-chloro-2-nitro-phenyl)-1H-pyrrole; 2-hydroxy-3-isopropyl-butanedioate CAS Name: 3-chloro-4-(3-chloro-2-nitrophenyl)-1H-pyrrole; 2-hydroxy-3-propan-2-ylbutanedioate IUPAC Name: 3-chloro-4-(3-chloro-2-nitrophenyl)-1H-pyrrole; 2-hydroxy-3-propan-2-ylbutanedioate Traditional Name: 3-chloro-4-(3-chloro-2-nitro-phenyl)-1H-pyrrole; 2-hydroxy-3-isopropyl-succinate Formula: C17H16Cl2N2O7-2 MolecularWeight: 431.22414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H6Cl2N2O2.C7H12O5/c11-8-3-1-2-6(10(8)14(15)16)7-4-13-5-9(7)12;1-3(2)4(6(9)10)5(8)7(11)12/h1-5,13H;3-5,8H,1-2H3,(H,9,10)(H,11,12)/p-2