N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(4-ethanoylpiperazin-1-yl)-3-nitro-benzamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(4-ethanoylpiperazin-1-yl)-3-nitro-benzamide Openeye Name: 4-(4-acetylpiperazin-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-nitro-benzamide CAS Name: 4-(4-acetyl-1-piperazinyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-nitrobenzamide IUPAC Name: 4-(4-acetylpiperazin-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-nitrobenzamide Traditional Name: 4-(4-acetylpiperazino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-nitro-benzamide Formula: C21H22N4O6 MolecularWeight: 426.42258

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=CC4=C(C=C3)OCCO4)[N+](=O)[O-]

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=CC4=C(C=C3)OCCO4)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O6/c1-14(26)23-6-8-24(9-7-23)17-4-2-15(12-18(17)25(28)29)21(27)22-16-3-5-19-20(13-16)31-11-10-30-19/h2-5,12-13H,6-11H2,1H3,(H,22,27)