2-azaniumyl-3-(3,5-dinitro-4-oxidanidyl-phenyl)propanoate

Systemtic Name: 2-azaniumyl-3-(3,5-dinitro-4-oxidanidyl-phenyl)propanoate Openeye Name: 2-azaniumyl-3-(3,5-dinitro-4-oxido-phenyl)propanoate CAS Name: 2-ammonio-3-(3,5-dinitro-4-oxidophenyl)propanoate IUPAC Name: 2-azaniumyl-3-(3,5-dinitro-4-oxidophenyl)propanoate Traditional Name: 2-ammonio-3-(3,5-dinitro-4-oxido-phenyl)propionate Formula: C9H8N3O7- MolecularWeight: 270.17572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])CC(C(=O)[O-])[NH3+]

Isomeric SMILES

C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])CC(C(=O)[O-])[NH3+]

InChI

InChI=1S/C9H9N3O7/c10-5(9(14)15)1-4-2-6(11(16)17)8(13)7(3-4)12(18)19/h2-3,5,13H,1,10H2,(H,14,15)/p-1