2-[[1-(furan-3-ylcarbonyl)piperidin-4-yl]amino]-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[[1-(furan-3-ylcarbonyl)piperidin-4-yl]amino]-5-nitro-benzenecarbonitrile Openeye Name: 2-[[1-(furan-3-carbonyl)-4-piperidyl]amino]-5-nitro-benzonitrile CAS Name: 2-[[1-[3-furanyl(oxo)methyl]-4-piperidinyl]amino]-5-nitrobenzonitrile IUPAC Name: 2-[[1-(furan-3-carbonyl)piperidin-4-yl]amino]-5-nitrobenzonitrile Traditional Name: 2-[[1-(3-furoyl)-4-piperidyl]amino]-5-nitro-benzonitrile Formula: C17H16N4O4 MolecularWeight: 340.33334

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC2=C(C=C(C=C2)[N+](=O)[O-])C#N)C(=O)C3=COC=C3

Isomeric SMILES

C1CN(CCC1NC2=C(C=C(C=C2)[N+](=O)[O-])C#N)C(=O)C3=COC=C3

InChI

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