2-azanyl-3-(3-nitro-4-oxidanyl-phenyl)propanoic acid; bis(oxidanyl)-oxidanylidene-azanium

Systemtic Name: 2-azanyl-3-(3-nitro-4-oxidanyl-phenyl)propanoic acid; bis(oxidanyl)-oxidanylidene-azanium Openeye Name: 2-amino-3-(4-hydroxy-3-nitro-phenyl)propanoic acid; dihydroxy(oxo)ammonium CAS Name: 2-amino-3-(4-hydroxy-3-nitrophenyl)propanoic acid; dihydroxy(oxo)ammonium IUPAC Name: 2-amino-3-(4-hydroxy-3-nitrophenyl)propanoic acid; dihydroxy(oxo)azanium Traditional Name: 2-amino-3-(4-hydroxy-3-nitro-phenyl)propionic acid; dihydroxy(keto)ammonium Formula: C9H12N3O8+ MolecularWeight: 290.20688

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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.H2NO3/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);(H2,2,3,4)/q;+1