2-azanyl-5-oxidanylidene-pentanoic acid; 3-chloranyl-4-(3-chloranyl-2-nitro-phenyl)-1H-pyrrole

Systemtic Name: 2-azanyl-5-oxidanylidene-pentanoic acid; 3-chloranyl-4-(3-chloranyl-2-nitro-phenyl)-1H-pyrrole Openeye Name: 2-amino-5-oxo-pentanoic acid; 3-chloro-4-(3-chloro-2-nitro-phenyl)-1H-pyrrole CAS Name: 2-amino-5-oxopentanoic acid; 3-chloro-4-(3-chloro-2-nitrophenyl)-1H-pyrrole IUPAC Name: 2-amino-5-oxopentanoic acid; 3-chloro-4-(3-chloro-2-nitrophenyl)-1H-pyrrole Traditional Name: 2-amino-5-keto-valeric acid; 3-chloro-4-(3-chloro-2-nitro-phenyl)-1H-pyrrole Formula: C15H15Cl2N3O5 MolecularWeight: 388.2027

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H6Cl2N2O2.C5H9NO3/c11-8-3-1-2-6(10(8)14(15)16)7-4-13-5-9(7)12;6-4(5(8)9)2-1-3-7/h1-5,13H;3-4H,1-2,6H2,(H,8,9)