2-hydroxyethyl 4-[6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]oxybenzoate

Systemtic Name: 2-hydroxyethyl 4-[6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]oxybenzoate Openeye Name: 2-hydroxyethyl 4-[6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]oxybenzoate CAS Name: 4-[[6-(4-methyl-1-piperazinyl)-5-nitro-4-pyrimidinyl]oxy]benzoic acid 2-hydroxyethyl ester IUPAC Name: 2-hydroxyethyl 4-[6-(4-methylpiperazin-1-yl)-5-nitropyrimidin-4-yl]oxybenzoate Traditional Name: 4-[6-(4-methylpiperazino)-5-nitro-pyrimidin-4-yl]oxybenzoic acid 2-hydroxyethyl ester Formula: C18H21N5O6 MolecularWeight: 403.38924

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C(=NC=N2)OC3=CC=C(C=C3)C(=O)OCCO)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)C2=C(C(=NC=N2)OC3=CC=C(C=C3)C(=O)OCCO)[N+](=O)[O-]

InChI

InChI=1S/C18H21N5O6/c1-21-6-8-22(9-7-21)16-15(23(26)27)17(20-12-19-16)29-14-4-2-13(3-5-14)18(25)28-11-10-24/h2-5,12,24H,6-11H2,1H3