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

Systemtic Name: 2-hydroxyethyl 4-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]oxybenzoate Openeye Name: 2-hydroxyethyl 4-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]oxybenzoate CAS Name: 4-[[6-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-5-nitro-4-pyrimidinyl]oxy]benzoic acid 2-hydroxyethyl ester IUPAC Name: 2-hydroxyethyl 4-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]oxybenzoate Traditional Name: 4-[5-nitro-6-(4-piperonylpiperazino)pyrimidin-4-yl]oxybenzoic acid 2-hydroxyethyl ester Formula: C25H25N5O8 MolecularWeight: 523.4947

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=C(C(=NC=N4)OC5=CC=C(C=C5)C(=O)OCCO)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=C(C(=NC=N4)OC5=CC=C(C=C5)C(=O)OCCO)[N+](=O)[O-]

InChI

InChI=1S/C25H25N5O8/c31-11-12-35-25(32)18-2-4-19(5-3-18)38-24-22(30(33)34)23(26-15-27-24)29-9-7-28(8-10-29)14-17-1-6-20-21(13-17)37-16-36-20/h1-6,13,15,31H,7-12,14,16H2