2-acetamidopentanedioate; 3-chloranyl-4-(3-chloranyl-2-nitro-phenyl)-1H-pyrrole

Systemtic Name: 2-acetamidopentanedioate; 3-chloranyl-4-(3-chloranyl-2-nitro-phenyl)-1H-pyrrole Openeye Name: 2-acetamidopentanedioate; 3-chloro-4-(3-chloro-2-nitro-phenyl)-1H-pyrrole CAS Name: 2-acetamidopentanedioate; 3-chloro-4-(3-chloro-2-nitrophenyl)-1H-pyrrole IUPAC Name: 2-acetamidopentanedioate; 3-chloro-4-(3-chloro-2-nitrophenyl)-1H-pyrrole Traditional Name: 2-acetamidoglutarate; 3-chloro-4-(3-chloro-2-nitro-phenyl)-1H-pyrrole Formula: C17H15Cl2N3O7-2 MolecularWeight: 444.2229

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H6Cl2N2O2.C7H11NO5/c11-8-3-1-2-6(10(8)14(15)16)7-4-13-5-9(7)12;1-4(9)8-5(7(12)13)2-3-6(10)11/h1-5,13H;5H,2-3H2,1H3,(H,8,9)(H,10,11)(H,12,13)/p-2