(1-azanyl-2-oxidanyl-ethyl)phosphonic acid; 3-chloranyl-4-(3-chloranyl-2-nitro-phenyl)-1H-pyrrole

Systemtic Name: (1-azanyl-2-oxidanyl-ethyl)phosphonic acid; 3-chloranyl-4-(3-chloranyl-2-nitro-phenyl)-1H-pyrrole Openeye Name: (1-amino-2-hydroxy-ethyl)phosphonic acid; 3-chloro-4-(3-chloro-2-nitro-phenyl)-1H-pyrrole CAS Name: (1-amino-2-hydroxyethyl)phosphonic acid; 3-chloro-4-(3-chloro-2-nitrophenyl)-1H-pyrrole IUPAC Name: (1-amino-2-hydroxyethyl)phosphonic acid; 3-chloro-4-(3-chloro-2-nitrophenyl)-1H-pyrrole Traditional Name: (1-amino-2-hydroxy-ethyl)phosphonic acid; 3-chloro-4-(3-chloro-2-nitro-phenyl)-1H-pyrrole Formula: C12H14Cl2N3O6P MolecularWeight: 398.135821

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H6Cl2N2O2.C2H8NO4P/c11-8-3-1-2-6(10(8)14(15)16)7-4-13-5-9(7)12;3-2(1-4)8(5,6)7/h1-5,13H;2,4H,1,3H2,(H2,5,6,7)