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

Systemtic Name: 2-azanyl-3-[3-nitro-4,5-bis(oxidanyl)phenyl]propanoic acid Openeye Name: 2-amino-3-(3,4-dihydroxy-5-nitro-phenyl)propanoic acid CAS Name: 2-amino-3-(3,4-dihydroxy-5-nitrophenyl)propanoic acid IUPAC Name: 2-amino-3-(3,4-dihydroxy-5-nitrophenyl)propanoic acid Traditional Name: 2-amino-3-(3,4-dihydroxy-5-nitro-phenyl)propionic acid Formula: C9H10N2O6 MolecularWeight: 242.1855

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H10N2O6/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)