2-(2-azanylpropanoylamino)propanoic acid; 3-chloranyl-4-(3-chloranyl-2-nitro-phenyl)-1H-pyrrole

Systemtic Name: 2-(2-azanylpropanoylamino)propanoic acid; 3-chloranyl-4-(3-chloranyl-2-nitro-phenyl)-1H-pyrrole Openeye Name: 2-(2-aminopropanoylamino)propanoic acid; 3-chloro-4-(3-chloro-2-nitro-phenyl)-1H-pyrrole CAS Name: 2-[(2-amino-1-oxopropyl)amino]propanoic acid; 3-chloro-4-(3-chloro-2-nitrophenyl)-1H-pyrrole IUPAC Name: 2-(2-aminopropanoylamino)propanoic acid; 3-chloro-4-(3-chloro-2-nitrophenyl)-1H-pyrrole Traditional Name: 2-(alanylamino)propionic acid; 3-chloro-4-(3-chloro-2-nitro-phenyl)-1H-pyrrole Formula: C16H18Cl2N4O5 MolecularWeight: 417.24392

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H6Cl2N2O2.C6H12N2O3/c11-8-3-1-2-6(10(8)14(15)16)7-4-13-5-9(7)12;1-3(7)5(9)8-4(2)6(10)11/h1-5,13H;3-4H,7H2,1-2H3,(H,8,9)(H,10,11)