4-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-5-nitro-benzene-1,2-dicarbonitrile

Systemtic Name: 4-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-5-nitro-benzene-1,2-dicarbonitrile Openeye Name: 4-[4-(furan-2-carbonyl)piperazin-1-yl]-5-nitro-phthalonitrile CAS Name: 4-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]-5-nitrobenzene-1,2-dicarbonitrile IUPAC Name: 4-[4-(furan-2-carbonyl)piperazin-1-yl]-5-nitrobenzene-1,2-dicarbonitrile Traditional Name: 4-[4-(2-furoyl)piperazino]-5-nitro-phthalonitrile Formula: C17H13N5O4 MolecularWeight: 351.31622

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C(=C2)C#N)C#N)[N+](=O)[O-])C(=O)C3=CC=CO3

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C(=C2)C#N)C#N)[N+](=O)[O-])C(=O)C3=CC=CO3

InChI

InChI=1S/C17H13N5O4/c18-10-12-8-14(15(22(24)25)9-13(12)11-19)20-3-5-21(6-4-20)17(23)16-2-1-7-26-16/h1-2,7-9H,3-6H2