2-azaniumyl-3-(3-nitro-2-oxidanyl-phenyl)propanoate

Systemtic Name: 2-azaniumyl-3-(3-nitro-2-oxidanyl-phenyl)propanoate Openeye Name: 2-azaniumyl-3-(2-hydroxy-3-nitro-phenyl)propanoate CAS Name: 2-ammonio-3-(2-hydroxy-3-nitrophenyl)propanoate IUPAC Name: 2-azaniumyl-3-(2-hydroxy-3-nitrophenyl)propanoate Traditional Name: 2-ammonio-3-(2-hydroxy-3-nitro-phenyl)propionate Formula: C9H10N2O5 MolecularWeight: 226.1861

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H10N2O5/c10-6(9(13)14)4-5-2-1-3-7(8(5)12)11(15)16/h1-3,6,12H,4,10H2,(H,13,14)