N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-4-methyl-3-nitro-benzamide

Systemtic Name: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-4-methyl-3-nitro-benzamide Openeye Name: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxo-ethyl]-4-methyl-3-nitro-benzamide CAS Name: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-oxoethyl]-4-methyl-3-nitrobenzamide IUPAC Name: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethyl]-4-methyl-3-nitrobenzamide Traditional Name: N-[2-keto-2-(4-piperonylpiperazino)ethyl]-4-methyl-3-nitro-benzamide Formula: C22H24N4O6 MolecularWeight: 440.44916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NCC(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NCC(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

InChI

InChI=1S/C22H24N4O6/c1-15-2-4-17(11-18(15)26(29)30)22(28)23-12-21(27)25-8-6-24(7-9-25)13-16-3-5-19-20(10-16)32-14-31-19/h2-5,10-11H,6-9,12-14H2,1H3,(H,23,28)