2-azaniumyl-3-(2,4-dinitro-3-oxidanyl-phenyl)propanoate

Systemtic Name: 2-azaniumyl-3-(2,4-dinitro-3-oxidanyl-phenyl)propanoate Openeye Name: 2-azaniumyl-3-(3-hydroxy-2,4-dinitro-phenyl)propanoate CAS Name: 2-ammonio-3-(3-hydroxy-2,4-dinitrophenyl)propanoate IUPAC Name: 2-azaniumyl-3-(3-hydroxy-2,4-dinitrophenyl)propanoate Traditional Name: 2-ammonio-3-(3-hydroxy-2,4-dinitro-phenyl)propionate Formula: C9H9N3O7 MolecularWeight: 271.18366

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1CC(C(=O)[O-])[NH3+])[N+](=O)[O-])O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(C(=C1CC(C(=O)[O-])[NH3+])[N+](=O)[O-])O)[N+](=O)[O-]

InChI

InChI=1S/C9H9N3O7/c10-5(9(14)15)3-4-1-2-6(11(16)17)8(13)7(4)12(18)19/h1-2,5,13H,3,10H2,(H,14,15)