dimethyl 2-[2-[4-(4-nitrophenyl)piperazin-1-yl]ethanoylamino]benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-[2-[4-(4-nitrophenyl)piperazin-1-yl]ethanoylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[[2-[4-(4-nitrophenyl)piperazin-1-yl]acetyl]amino]benzene-1,4-dicarboxylate CAS Name: 2-[[2-[4-(4-nitrophenyl)-1-piperazinyl]-1-oxoethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[[2-[4-(4-nitrophenyl)piperazin-1-yl]acetyl]amino]benzene-1,4-dicarboxylate Traditional Name: 2-[[2-[4-(4-nitrophenyl)piperazino]acetyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C22H24N4O7 MolecularWeight: 456.44856

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)CN2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)CN2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H24N4O7/c1-32-21(28)15-3-8-18(22(29)33-2)19(13-15)23-20(27)14-24-9-11-25(12-10-24)16-4-6-17(7-5-16)26(30)31/h3-8,13H,9-12,14H2,1-2H3,(H,23,27)