ethyl 4-[[5-nitro-2-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanoylamino]phenyl]carbonylamino]benzoate

Systemtic Name: ethyl 4-[[5-nitro-2-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanoylamino]phenyl]carbonylamino]benzoate Openeye Name: ethyl 4-[[5-nitro-2-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]benzoyl]amino]benzoate CAS Name: 4-[[[5-nitro-2-[[1-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl]amino]phenyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[5-nitro-2-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]benzoyl]amino]benzoate Traditional Name: 4-[[5-nitro-2-[[2-[4-(2-pyrimidyl)piperazino]acetyl]amino]benzoyl]amino]benzoic acid ethyl ester Formula: C26H27N7O6 MolecularWeight: 533.53588

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NC(=O)CN3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NC(=O)CN3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C26H27N7O6/c1-2-39-25(36)18-4-6-19(7-5-18)29-24(35)21-16-20(33(37)38)8-9-22(21)30-23(34)17-31-12-14-32(15-13-31)26-27-10-3-11-28-26/h3-11,16H,2,12-15,17H2,1H3,(H,29,35)(H,30,34)