methyl 2-[4-[6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]oxyphenyl]ethanoate

Systemtic Name: methyl 2-[4-[6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]oxyphenyl]ethanoate Openeye Name: methyl 2-[4-[6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]oxyphenyl]acetate CAS Name: 2-[4-[[6-(4-methyl-1-piperazinyl)-5-nitro-4-pyrimidinyl]oxy]phenyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-[6-(4-methylpiperazin-1-yl)-5-nitropyrimidin-4-yl]oxyphenyl]acetate Traditional Name: 2-[4-[6-(4-methylpiperazino)-5-nitro-pyrimidin-4-yl]oxyphenyl]acetic acid methyl ester Formula: C18H21N5O5 MolecularWeight: 387.38984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N5O5/c1-21-7-9-22(10-8-21)17-16(23(25)26)18(20-12-19-17)28-14-5-3-13(4-6-14)11-15(24)27-2/h3-6,12H,7-11H2,1-2H3