2-azanyl-3-(2,5-dinitro-4-oxidanyl-phenyl)propanoic acid

Systemtic Name: 2-azanyl-3-(2,5-dinitro-4-oxidanyl-phenyl)propanoic acid Openeye Name: 2-amino-3-(4-hydroxy-2,5-dinitro-phenyl)propanoic acid CAS Name: 2-amino-3-(4-hydroxy-2,5-dinitrophenyl)propanoic acid IUPAC Name: 2-amino-3-(4-hydroxy-2,5-dinitrophenyl)propanoic acid Traditional Name: 2-amino-3-(4-hydroxy-2,5-dinitro-phenyl)propionic acid Formula: C9H9N3O7 MolecularWeight: 271.18366

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H9N3O7/c10-5(9(14)15)1-4-2-7(12(18)19)8(13)3-6(4)11(16)17/h2-3,5,13H,1,10H2,(H,14,15)