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

Systemtic Name: 2-acetamido-5-azanyl-pentanoic acid; 3-chloranyl-4-(3-chloranyl-2-nitro-phenyl)-1H-pyrrole Openeye Name: 2-acetamido-5-amino-pentanoic acid; 3-chloro-4-(3-chloro-2-nitro-phenyl)-1H-pyrrole CAS Name: 2-acetamido-5-aminopentanoic acid; 3-chloro-4-(3-chloro-2-nitrophenyl)-1H-pyrrole IUPAC Name: 2-acetamido-5-aminopentanoic acid; 3-chloro-4-(3-chloro-2-nitrophenyl)-1H-pyrrole Traditional Name: 2-acetamido-5-amino-valeric acid; 3-chloro-4-(3-chloro-2-nitro-phenyl)-1H-pyrrole Formula: C17H20Cl2N4O5 MolecularWeight: 431.2705

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H6Cl2N2O2.C7H14N2O3/c11-8-3-1-2-6(10(8)14(15)16)7-4-13-5-9(7)12;1-5(10)9-6(7(11)12)3-2-4-8/h1-5,13H;6H,2-4,8H2,1H3,(H,9,10)(H,11,12)