2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)piperidin-1-yl]-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)piperidin-1-yl]-5-nitro-benzenecarbonitrile Openeye Name: 2-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-1-piperidyl]-5-nitro-benzonitrile CAS Name: 2-[4-[2,3-dihydro-1,4-benzodioxin-6-yl(oxo)methyl]-1-piperidinyl]-5-nitrobenzonitrile IUPAC Name: 2-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]-5-nitrobenzonitrile Traditional Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-6-carbonyl)piperidino]-5-nitro-benzonitrile Formula: C21H19N3O5 MolecularWeight: 393.39266

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)C2=CC3=C(C=C2)OCCO3)C4=C(C=C(C=C4)[N+](=O)[O-])C#N

Isomeric SMILES

C1CN(CCC1C(=O)C2=CC3=C(C=C2)OCCO3)C4=C(C=C(C=C4)[N+](=O)[O-])C#N

InChI

InChI=1S/C21H19N3O5/c22-13-16-11-17(24(26)27)2-3-18(16)23-7-5-14(6-8-23)21(25)15-1-4-19-20(12-15)29-10-9-28-19/h1-4,11-12,14H,5-10H2