2-azanyl-3-[3-nitro-4,5-bis(oxidanyl)phenyl]propanoic acid hydrobromide

Systemtic Name: 2-azanyl-3-[3-nitro-4,5-bis(oxidanyl)phenyl]propanoic acid hydrobromide Openeye Name: 2-amino-3-(3,4-dihydroxy-5-nitro-phenyl)propanoic acid hydrobromide CAS Name: 2-amino-3-(3,4-dihydroxy-5-nitrophenyl)propanoic acid hydrobromide IUPAC Name: 2-amino-3-(3,4-dihydroxy-5-nitrophenyl)propanoic acid hydrobromide Traditional Name: 2-amino-3-(3,4-dihydroxy-5-nitro-phenyl)propionic acid hydrobromide Formula: C9H11BrN2O6 MolecularWeight: 323.09744

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H10N2O6.BrH/c10-5(9(14)15)1-4-2-6(11(16)17)8(13)7(12)3-4;/h2-3,5,12-13H,1,10H2,(H,14,15);1H