2-nitro-6-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzoate

Systemtic Name: 2-nitro-6-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzoate Openeye Name: 2-nitro-6-(3-oxopiperazin-1-yl)sulfonyl-benzoate CAS Name: 2-nitro-6-[(3-oxo-1-piperazinyl)sulfonyl]benzoate IUPAC Name: 2-nitro-6-(3-oxopiperazin-1-yl)sulfonylbenzoate Traditional Name: 2-(3-ketopiperazino)sulfonyl-6-nitro-benzoate Formula: C11H10N3O7S- MolecularWeight: 328.278

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)S(=O)(=O)C2=CC=CC(=C2C(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CN(CC(=O)N1)S(=O)(=O)C2=CC=CC(=C2C(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C11H11N3O7S/c15-9-6-13(5-4-12-9)22(20,21)8-3-1-2-7(14(18)19)10(8)11(16)17/h1-3H,4-6H2,(H,12,15)(H,16,17)/p-1