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

Systemtic Name: 3-[[1-(furan-3-ylcarbonyl)piperidin-4-yl]amino]-4-methyl-5-nitro-benzenecarbonitrile Openeye Name: 3-[[1-(furan-3-carbonyl)-4-piperidyl]amino]-4-methyl-5-nitro-benzonitrile CAS Name: 3-[[1-[3-furanyl(oxo)methyl]-4-piperidinyl]amino]-4-methyl-5-nitrobenzonitrile IUPAC Name: 3-[[1-(furan-3-carbonyl)piperidin-4-yl]amino]-4-methyl-5-nitrobenzonitrile Traditional Name: 3-[[1-(3-furoyl)-4-piperidyl]amino]-4-methyl-5-nitro-benzonitrile Formula: C18H18N4O4 MolecularWeight: 354.35992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1[N+](=O)[O-])C#N)NC2CCN(CC2)C(=O)C3=COC=C3

Isomeric SMILES

CC1=C(C=C(C=C1[N+](=O)[O-])C#N)NC2CCN(CC2)C(=O)C3=COC=C3

InChI

InChI=1S/C18H18N4O4/c1-12-16(8-13(10-19)9-17(12)22(24)25)20-15-2-5-21(6-3-15)18(23)14-4-7-26-11-14/h4,7-9,11,15,20H,2-3,5-6H2,1H3