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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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