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

Systemtic Name: methyl 3-[6-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]oxybenzoate Openeye Name: methyl 3-[6-[4-(furan-2-carbonyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]oxybenzoate CAS Name: 3-[[6-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]-5-nitro-4-pyrimidinyl]oxy]benzoic acid methyl ester IUPAC Name: methyl 3-[6-[4-(furan-2-carbonyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]oxybenzoate Traditional Name: 3-[6-[4-(2-furoyl)piperazino]-5-nitro-pyrimidin-4-yl]oxybenzoic acid methyl ester Formula: C21H19N5O7 MolecularWeight: 453.40486

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N5O7/c1-31-21(28)14-4-2-5-15(12-14)33-19-17(26(29)30)18(22-13-23-19)24-7-9-25(10-8-24)20(27)16-6-3-11-32-16/h2-6,11-13H,7-10H2,1H3