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

Systemtic Name: methyl 3-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]oxybenzoate Openeye Name: methyl 3-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]oxybenzoate CAS Name: 3-[[6-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-5-nitro-4-pyrimidinyl]oxy]benzoic acid methyl ester IUPAC Name: methyl 3-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]oxybenzoate Traditional Name: 3-[5-nitro-6-(4-piperonylpiperazino)pyrimidin-4-yl]oxybenzoic acid methyl ester Formula: C24H23N5O7 MolecularWeight: 493.46872

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

Isomeric SMILES

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

InChI

InChI=1S/C24H23N5O7/c1-33-24(30)17-3-2-4-18(12-17)36-23-21(29(31)32)22(25-14-26-23)28-9-7-27(8-10-28)13-16-5-6-19-20(11-16)35-15-34-19/h2-6,11-12,14H,7-10,13,15H2,1H3