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

Systemtic Name: 2-azanyl-3-[2-nitro-3,4-bis(oxidanyl)phenyl]propanoic acid Openeye Name: 2-amino-3-(3,4-dihydroxy-2-nitro-phenyl)propanoic acid CAS Name: 2-amino-3-(3,4-dihydroxy-2-nitrophenyl)propanoic acid IUPAC Name: 2-amino-3-(3,4-dihydroxy-2-nitrophenyl)propanoic acid Traditional Name: 2-amino-3-(3,4-dihydroxy-2-nitro-phenyl)propionic acid Formula: C9H10N2O6 MolecularWeight: 242.1855

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H10N2O6/c10-5(9(14)15)3-4-1-2-6(12)8(13)7(4)11(16)17/h1-2,5,12-13H,3,10H2,(H,14,15)