[3-[5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-4-yl]oxyphenyl] ethanoate

Systemtic Name: [3-[5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-4-yl]oxyphenyl] ethanoate Openeye Name: [3-[6-(4-benzylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]oxyphenyl] acetate CAS Name: acetic acid [3-[[5-nitro-6-[4-(phenylmethyl)-1-piperazinyl]-4-pyrimidinyl]oxy]phenyl] ester IUPAC Name: [3-[6-(4-benzylpiperazin-1-yl)-5-nitropyrimidin-4-yl]oxyphenyl] acetate Traditional Name: acetic acid [3-[6-(4-benzylpiperazino)-5-nitro-pyrimidin-4-yl]oxyphenyl] ester Formula: C23H23N5O5 MolecularWeight: 449.45922

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=CC(=C1)OC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC(=O)OC1=CC=CC(=C1)OC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H23N5O5/c1-17(29)32-19-8-5-9-20(14-19)33-23-21(28(30)31)22(24-16-25-23)27-12-10-26(11-13-27)15-18-6-3-2-4-7-18/h2-9,14,16H,10-13,15H2,1H3