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

Systemtic Name: methyl 5-[6-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]oxypyridine-3-carboxylate Openeye Name: methyl 5-[6-[4-(furan-2-carbonyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]oxypyridine-3-carboxylate CAS Name: 5-[[6-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]-5-nitro-4-pyrimidinyl]oxy]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 5-[6-[4-(furan-2-carbonyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]oxypyridine-3-carboxylate Traditional Name: 5-[6-[4-(2-furoyl)piperazino]-5-nitro-pyrimidin-4-yl]oxynicotinic acid methyl ester Formula: C20H18N6O7 MolecularWeight: 454.39292

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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)C(=O)C4=CC=CO4

Isomeric SMILES

COC(=O)C1=CC(=CN=C1)OC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C(=O)C4=CC=CO4

InChI

InChI=1S/C20H18N6O7/c1-31-20(28)13-9-14(11-21-10-13)33-18-16(26(29)30)17(22-12-23-18)24-4-6-25(7-5-24)19(27)15-3-2-8-32-15/h2-3,8-12H,4-7H2,1H3