4-[6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]oxybenzene-1,2-dicarbonitrile

Systemtic Name: 4-[6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]oxybenzene-1,2-dicarbonitrile Openeye Name: 4-[6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]oxyphthalonitrile CAS Name: 4-[[6-(4-methyl-1-piperazinyl)-5-nitro-4-pyrimidinyl]oxy]benzene-1,2-dicarbonitrile IUPAC Name: 4-[6-(4-methylpiperazin-1-yl)-5-nitropyrimidin-4-yl]oxybenzene-1,2-dicarbonitrile Traditional Name: 4-[6-(4-methylpiperazino)-5-nitro-pyrimidin-4-yl]oxyphthalonitrile Formula: C17H15N7O3 MolecularWeight: 365.3461

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C(=NC=N2)OC3=CC(=C(C=C3)C#N)C#N)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)C2=C(C(=NC=N2)OC3=CC(=C(C=C3)C#N)C#N)[N+](=O)[O-]

InChI

InChI=1S/C17H15N7O3/c1-22-4-6-23(7-5-22)16-15(24(25)26)17(21-11-20-16)27-14-3-2-12(9-18)13(8-14)10-19/h2-3,8,11H,4-7H2,1H3