4-nitro-2-(2-oxidanylidenepropylamino)benzoate

Systemtic Name: 4-nitro-2-(2-oxidanylidenepropylamino)benzoate Openeye Name: 2-(acetonylamino)-4-nitro-benzoate CAS Name: 4-nitro-2-(2-oxopropylamino)benzoate IUPAC Name: 4-nitro-2-(2-oxopropylamino)benzoate Traditional Name: 2-(acetonylamino)-4-nitro-benzoate Formula: C10H9N2O5- MolecularWeight: 237.18886

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CNC1=C(C=CC(=C1)[N+](=O)[O-])C(=O)[O-]

Isomeric SMILES

CC(=O)CNC1=C(C=CC(=C1)[N+](=O)[O-])C(=O)[O-]

InChI

InChI=1S/C10H10N2O5/c1-6(13)5-11-9-4-7(12(16)17)2-3-8(9)10(14)15/h2-4,11H,5H2,1H3,(H,14,15)/p-1