3-(4-azanyl-3-nitro-phenyl)-2-oxidanyl-propanoate

Systemtic Name: 3-(4-azanyl-3-nitro-phenyl)-2-oxidanyl-propanoate Openeye Name: 3-(4-amino-3-nitro-phenyl)-2-hydroxy-propanoate CAS Name: 3-(4-amino-3-nitrophenyl)-2-hydroxypropanoate IUPAC Name: 3-(4-amino-3-nitrophenyl)-2-hydroxypropanoate Traditional Name: 3-(4-amino-3-nitro-phenyl)-2-hydroxy-propionate Formula: C9H9N2O5- MolecularWeight: 225.17816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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