4-acetyloxy-2-azanyl-butanoic acid; 3-chloranyl-4-(3-chloranyl-2-nitro-phenyl)-1H-pyrrole

Systemtic Name: 4-acetyloxy-2-azanyl-butanoic acid; 3-chloranyl-4-(3-chloranyl-2-nitro-phenyl)-1H-pyrrole Openeye Name: 4-acetoxy-2-amino-butanoic acid; 3-chloro-4-(3-chloro-2-nitro-phenyl)-1H-pyrrole CAS Name: 4-acetyloxy-2-aminobutanoic acid; 3-chloro-4-(3-chloro-2-nitrophenyl)-1H-pyrrole IUPAC Name: 4-acetyloxy-2-aminobutanoic acid; 3-chloro-4-(3-chloro-2-nitrophenyl)-1H-pyrrole Traditional Name: 4-acetoxy-2-amino-butyric acid; 3-chloro-4-(3-chloro-2-nitro-phenyl)-1H-pyrrole Formula: C16H17Cl2N3O6 MolecularWeight: 418.22868

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H6Cl2N2O2.C6H11NO4/c11-8-3-1-2-6(10(8)14(15)16)7-4-13-5-9(7)12;1-4(8)11-3-2-5(7)6(9)10/h1-5,13H;5H,2-3,7H2,1H3,(H,9,10)