3-nitro-4-(3-oxidanylidenepiperazin-1-yl)benzoate

Systemtic Name: 3-nitro-4-(3-oxidanylidenepiperazin-1-yl)benzoate Openeye Name: 3-nitro-4-(3-oxopiperazin-1-yl)benzoate CAS Name: 3-nitro-4-(3-oxo-1-piperazinyl)benzoate IUPAC Name: 3-nitro-4-(3-oxopiperazin-1-yl)benzoate Traditional Name: 4-(3-ketopiperazino)-3-nitro-benzoate Formula: C11H10N3O5- MolecularWeight: 264.2142

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H11N3O5/c15-10-6-13(4-3-12-10)8-2-1-7(11(16)17)5-9(8)14(18)19/h1-2,5H,3-4,6H2,(H,12,15)(H,16,17)/p-1