2-azanyl-3-(3-nitro-4-oxidanyl-phenyl)propanoic acid; nitric acid

Systemtic Name: 2-azanyl-3-(3-nitro-4-oxidanyl-phenyl)propanoic acid; nitric acid Openeye Name: 2-amino-3-(4-hydroxy-3-nitro-phenyl)propanoic acid; nitric acid CAS Name: 2-amino-3-(4-hydroxy-3-nitrophenyl)propanoic acid; nitric acid IUPAC Name: 2-amino-3-(4-hydroxy-3-nitrophenyl)propanoic acid; nitric acid Traditional Name: 2-amino-3-(4-hydroxy-3-nitro-phenyl)propionic acid; nitric acid Formula: C9H11N3O8 MolecularWeight: 289.19894

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H10N2O5.HNO3/c10-6(9(13)14)3-5-1-2-8(12)7(4-5)11(15)16;2-1(3)4/h1-2,4,6,12H,3,10H2,(H,13,14);(H,2,3,4)