3-nitro-4-[(6-oxidanidyl-6-oxidanylidene-hexyl)amino]benzoate

Systemtic Name: 3-nitro-4-[(6-oxidanidyl-6-oxidanylidene-hexyl)amino]benzoate Openeye Name: 3-nitro-4-[(6-oxido-6-oxo-hexyl)amino]benzoate CAS Name: 3-nitro-4-[(6-oxido-6-oxohexyl)amino]benzoate IUPAC Name: 3-nitro-4-[(6-oxido-6-oxohexyl)amino]benzoate Traditional Name: 4-[(6-keto-6-oxido-hexyl)amino]-3-nitro-benzoate Formula: C13H14N2O6-2 MolecularWeight: 294.26006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O6/c16-12(17)4-2-1-3-7-14-10-6-5-9(13(18)19)8-11(10)15(20)21/h5-6,8,14H,1-4,7H2,(H,16,17)(H,18,19)/p-2