4-[[4-(5-nitrofuran-2-yl)carbonylpiperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-(5-nitrofuran-2-yl)carbonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(5-nitrofuran-2-carbonyl)piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[(5-nitro-2-furanyl)-oxomethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-(5-nitrofuran-2-carbonyl)piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(5-nitro-2-furoyl)piperazino]methyl]benzonitrile Formula: C17H16N4O4 MolecularWeight: 340.33334

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)C3=CC=C(O3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)C3=CC=C(O3)[N+](=O)[O-]

InChI

InChI=1S/C17H16N4O4/c18-11-13-1-3-14(4-2-13)12-19-7-9-20(10-8-19)17(22)15-5-6-16(25-15)21(23)24/h1-6H,7-10,12H2