methyl 5-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]oxypyridine-3-carboxylate

Systemtic Name: methyl 5-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]oxypyridine-3-carboxylate Openeye Name: methyl 5-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]oxypyridine-3-carboxylate CAS Name: 5-[[6-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-5-nitro-4-pyrimidinyl]oxy]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 5-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]oxypyridine-3-carboxylate Traditional Name: 5-[5-nitro-6-(4-piperonylpiperazino)pyrimidin-4-yl]oxynicotinic acid methyl ester Formula: C23H22N6O7 MolecularWeight: 494.45678

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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)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC(=O)C1=CC(=CN=C1)OC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H22N6O7/c1-33-23(30)16-9-17(11-24-10-16)36-22-20(29(31)32)21(25-13-26-22)28-6-4-27(5-7-28)12-15-2-3-18-19(8-15)35-14-34-18/h2-3,8-11,13H,4-7,12,14H2,1H3