3-nitro-4-[[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]amino]benzenecarbonitrile

Systemtic Name: 3-nitro-4-[[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]amino]benzenecarbonitrile Openeye Name: 3-nitro-4-[[6-(3-oxopiperazin-1-yl)-3-pyridyl]amino]benzonitrile CAS Name: 3-nitro-4-[[6-(3-oxo-1-piperazinyl)-3-pyridinyl]amino]benzonitrile IUPAC Name: 3-nitro-4-[[6-(3-oxopiperazin-1-yl)pyridin-3-yl]amino]benzonitrile Traditional Name: 4-[[6-(3-ketopiperazino)-3-pyridyl]amino]-3-nitro-benzonitrile Formula: C16H14N6O3 MolecularWeight: 338.32076

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)C2=NC=C(C=C2)NC3=C(C=C(C=C3)C#N)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC(=O)N1)C2=NC=C(C=C2)NC3=C(C=C(C=C3)C#N)[N+](=O)[O-]

InChI

InChI=1S/C16H14N6O3/c17-8-11-1-3-13(14(7-11)22(24)25)20-12-2-4-15(19-9-12)21-6-5-18-16(23)10-21/h1-4,7,9,20H,5-6,10H2,(H,18,23)