N-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-3-nitro-benzamide

Systemtic Name: N-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-3-nitro-benzamide Openeye Name: N-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]-2-oxo-ethyl]-3-nitro-benzamide CAS Name: N-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-piperazinyl]-2-oxoethyl]-3-nitrobenzamide IUPAC Name: N-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]-2-oxoethyl]-3-nitrobenzamide Traditional Name: N-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazino]-2-keto-ethyl]-3-nitro-benzamide Formula: C22H24N4O6 MolecularWeight: 440.44916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N4O6/c27-21(14-23-22(28)17-2-1-3-18(13-17)26(29)30)25-8-6-24(7-9-25)15-16-4-5-19-20(12-16)32-11-10-31-19/h1-5,12-13H,6-11,14-15H2,(H,23,28)