2-nitro-5-piperazin-4-ium-1-yl-benzoate

Systemtic Name: 2-nitro-5-piperazin-4-ium-1-yl-benzoate Openeye Name: 2-nitro-5-piperazin-4-ium-1-yl-benzoate CAS Name: 2-nitro-5-(1-piperazin-4-iumyl)benzoate IUPAC Name: 2-nitro-5-piperazin-4-ium-1-ylbenzoate Traditional Name: 2-nitro-5-piperazin-4-ium-1-yl-benzoate Formula: C11H13N3O4 MolecularWeight: 251.23862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C2=CC(=C(C=C2)[N+](=O)[O-])C(=O)[O-]

Isomeric SMILES

C1CN(CC[NH2+]1)C2=CC(=C(C=C2)[N+](=O)[O-])C(=O)[O-]

InChI

InChI=1S/C11H13N3O4/c15-11(16)9-7-8(1-2-10(9)14(17)18)13-5-3-12-4-6-13/h1-2,7,12H,3-6H2,(H,15,16)