3-chloranyl-4-(3-chloranyl-2-nitro-phenyl)-1H-pyrrole; (2E,4E)-2-oxidanyl-6-oxidanylidene-hepta-2,4-dienoate

Systemtic Name: 3-chloranyl-4-(3-chloranyl-2-nitro-phenyl)-1H-pyrrole; (2E,4E)-2-oxidanyl-6-oxidanylidene-hepta-2,4-dienoate Openeye Name: 3-chloro-4-(3-chloro-2-nitro-phenyl)-1H-pyrrole; (2E,4E)-2-hydroxy-6-oxo-hepta-2,4-dienoate CAS Name: 3-chloro-4-(3-chloro-2-nitrophenyl)-1H-pyrrole; (2E,4E)-2-hydroxy-6-oxohepta-2,4-dienoate IUPAC Name: 3-chloro-4-(3-chloro-2-nitrophenyl)-1H-pyrrole; (2E,4E)-2-hydroxy-6-oxohepta-2,4-dienoate Traditional Name: 3-chloro-4-(3-chloro-2-nitro-phenyl)-1H-pyrrole; (2E,4E)-2-hydroxy-6-keto-hepta-2,4-dienoate Formula: C17H13Cl2N2O6- MolecularWeight: 412.20092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(=O)/C=C/C=C(\C(=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;1-5(8)3-2-4-6(9)7(10)11/h1-5,13H;2-4,9H,1H3,(H,10,11)/p-1/b;3-2+,6-4+