methyl 5-[6-[4-(2-fluorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]oxypyridine-3-carboxylate

Systemtic Name: methyl 5-[6-[4-(2-fluorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]oxypyridine-3-carboxylate Openeye Name: methyl 5-[6-[4-(2-fluorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]oxypyridine-3-carboxylate CAS Name: 5-[[6-[4-(2-fluorophenyl)-1-piperazinyl]-5-nitro-4-pyrimidinyl]oxy]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 5-[6-[4-(2-fluorophenyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]oxypyridine-3-carboxylate Traditional Name: 5-[6-[4-(2-fluorophenyl)piperazino]-5-nitro-pyrimidin-4-yl]oxynicotinic acid methyl ester Formula: C21H19FN6O5 MolecularWeight: 454.411163

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CN=C1)OC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=CC=C4F

Isomeric SMILES

COC(=O)C1=CC(=CN=C1)OC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=CC=C4F

InChI

InChI=1S/C21H19FN6O5/c1-32-21(29)14-10-15(12-23-11-14)33-20-18(28(30)31)19(24-13-25-20)27-8-6-26(7-9-27)17-5-3-2-4-16(17)22/h2-5,10-13H,6-9H2,1H3