5-nitro-2-(3-oxidanylidenepiperazin-1-yl)benzenecarbonitrile

Systemtic Name: 5-nitro-2-(3-oxidanylidenepiperazin-1-yl)benzenecarbonitrile Openeye Name: 5-nitro-2-(3-oxopiperazin-1-yl)benzonitrile CAS Name: 5-nitro-2-(3-oxo-1-piperazinyl)benzonitrile IUPAC Name: 5-nitro-2-(3-oxopiperazin-1-yl)benzonitrile Traditional Name: 2-(3-ketopiperazino)-5-nitro-benzonitrile Formula: C11H10N4O3 MolecularWeight: 246.2221

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H10N4O3/c12-6-8-5-9(15(17)18)1-2-10(8)14-4-3-13-11(16)7-14/h1-2,5H,3-4,7H2,(H,13,16)