(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone

Systemtic Name: (6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone Openeye Name: [4-[(E)-cinnamyl]piperazin-1-yl]-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)methanone CAS Name: (6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)-[4-[(E)-3-phenylprop-2-enyl]-1-piperazinyl]methanone IUPAC Name: (6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone Traditional Name: [4-[(E)-cinnamyl]piperazino]-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)methanone Formula: C22H23N3O5 MolecularWeight: 409.43512

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC=CC2=CC=CC=C2)C(=O)C3=CC4=C(C=C3[N+](=O)[O-])OCCO4

Isomeric SMILES

C1CN(CCN1C/C=C/C2=CC=CC=C2)C(=O)C3=CC4=C(C=C3[N+](=O)[O-])OCCO4

InChI

InChI=1S/C22H23N3O5/c26-22(18-15-20-21(30-14-13-29-20)16-19(18)25(27)28)24-11-9-23(10-12-24)8-4-7-17-5-2-1-3-6-17/h1-7,15-16H,8-14H2/b7-4+