methyl 4-methoxy-2-[5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]oxy-benzoate

Systemtic Name: methyl 4-methoxy-2-[5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]oxy-benzoate Openeye Name: methyl 4-methoxy-2-[5-nitro-6-[4-(2-pyridyl)piperazin-1-yl]pyrimidin-4-yl]oxy-benzoate CAS Name: 4-methoxy-2-[[5-nitro-6-[4-(2-pyridinyl)-1-piperazinyl]-4-pyrimidinyl]oxy]benzoic acid methyl ester IUPAC Name: methyl 4-methoxy-2-[5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]oxybenzoate Traditional Name: 4-methoxy-2-[5-nitro-6-[4-(2-pyridyl)piperazino]pyrimidin-4-yl]oxy-benzoic acid methyl ester Formula: C22H22N6O6 MolecularWeight: 466.44668

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(=O)OC)OC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

COC1=CC(=C(C=C1)C(=O)OC)OC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C22H22N6O6/c1-32-15-6-7-16(22(29)33-2)17(13-15)34-21-19(28(30)31)20(24-14-25-21)27-11-9-26(10-12-27)18-5-3-4-8-23-18/h3-8,13-14H,9-12H2,1-2H3