N-(6-ethanoyl-1,3-benzodioxol-5-yl)-4-(4-methylpiperidin-1-yl)-3-nitro-benzamide

Systemtic Name: N-(6-ethanoyl-1,3-benzodioxol-5-yl)-4-(4-methylpiperidin-1-yl)-3-nitro-benzamide Openeye Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-4-(4-methyl-1-piperidyl)-3-nitro-benzamide CAS Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-4-(4-methyl-1-piperidinyl)-3-nitrobenzamide IUPAC Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-4-(4-methylpiperidin-1-yl)-3-nitrobenzamide Traditional Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-4-(4-methylpiperidino)-3-nitro-benzamide Formula: C22H23N3O6 MolecularWeight: 425.43452

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=CC4=C(C=C3C(=O)C)OCO4)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=CC4=C(C=C3C(=O)C)OCO4)[N+](=O)[O-]

InChI

InChI=1S/C22H23N3O6/c1-13-5-7-24(8-6-13)18-4-3-15(9-19(18)25(28)29)22(27)23-17-11-21-20(30-12-31-21)10-16(17)14(2)26/h3-4,9-11,13H,5-8,12H2,1-2H3,(H,23,27)