4-[[(1S)-2-nitro-1-(5-nitro-2-oxidanidyl-phenyl)ethyl]amino]benzoate

Systemtic Name: 4-[[(1S)-2-nitro-1-(5-nitro-2-oxidanidyl-phenyl)ethyl]amino]benzoate Openeye Name: 4-[[(1S)-2-nitro-1-(5-nitro-2-oxido-phenyl)ethyl]amino]benzoate CAS Name: 4-[[(1S)-2-nitro-1-(5-nitro-2-oxidophenyl)ethyl]amino]benzoate IUPAC Name: 4-[[(1S)-2-nitro-1-(5-nitro-2-oxidophenyl)ethyl]amino]benzoate Traditional Name: 4-[[(1S)-2-nitro-1-(5-nitro-2-oxido-phenyl)ethyl]amino]benzoate Formula: C15H11N3O7-2 MolecularWeight: 345.26374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)[O-])NC(C[N+](=O)[O-])C2=C(C=CC(=C2)[N+](=O)[O-])[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)[O-])N[C@H](C[N+](=O)[O-])C2=C(C=CC(=C2)[N+](=O)[O-])[O-]

InChI

InChI=1S/C15H13N3O7/c19-14-6-5-11(18(24)25)7-12(14)13(8-17(22)23)16-10-3-1-9(2-4-10)15(20)21/h1-7,13,16,19H,8H2,(H,20,21)/p-2/t13-/m1/s1