2-azaniumyl-3-(3-nitro-4-oxidanyl-phenyl)propanoate

Systemtic Name: 2-azaniumyl-3-(3-nitro-4-oxidanyl-phenyl)propanoate Openeye Name: 2-azaniumyl-3-(4-hydroxy-3-nitro-phenyl)propanoate CAS Name: 2-ammonio-3-(4-hydroxy-3-nitrophenyl)propanoate IUPAC Name: 2-azaniumyl-3-(4-hydroxy-3-nitrophenyl)propanoate Traditional Name: 2-ammonio-3-(4-hydroxy-3-nitro-phenyl)propionate Formula: C9H10N2O5 MolecularWeight: 226.1861

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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