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

Systemtic Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]-5-nitro-benzenecarbonitrile Openeye Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]-5-nitro-benzonitrile CAS Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-piperazinyl]-5-nitrobenzonitrile IUPAC Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]-5-nitrobenzonitrile Traditional Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazino]-5-nitro-benzonitrile Formula: C20H20N4O4 MolecularWeight: 380.3972

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCCO3)C4=C(C=C(C=C4)[N+](=O)[O-])C#N

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCCO3)C4=C(C=C(C=C4)[N+](=O)[O-])C#N

InChI

InChI=1S/C20H20N4O4/c21-13-16-12-17(24(25)26)2-3-18(16)23-7-5-22(6-8-23)14-15-1-4-19-20(11-15)28-10-9-27-19/h1-4,11-12H,5-10,14H2