methyl 3-[4-[5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]oxyphenyl]-3-oxidanylidene-propanoate

Systemtic Name: methyl 3-[4-[5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]oxyphenyl]-3-oxidanylidene-propanoate Openeye Name: methyl 3-[4-[5-nitro-6-[4-(2-pyridyl)piperazin-1-yl]pyrimidin-4-yl]oxyphenyl]-3-oxo-propanoate CAS Name: 3-[4-[[5-nitro-6-[4-(2-pyridinyl)-1-piperazinyl]-4-pyrimidinyl]oxy]phenyl]-3-oxopropanoic acid methyl ester IUPAC Name: methyl 3-[4-[5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]oxyphenyl]-3-oxopropanoate Traditional Name: 3-keto-3-[4-[5-nitro-6-[4-(2-pyridyl)piperazino]pyrimidin-4-yl]oxyphenyl]propionic acid methyl ester Formula: C23H22N6O6 MolecularWeight: 478.45738

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(=O)C1=CC=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

COC(=O)CC(=O)C1=CC=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C23H22N6O6/c1-34-20(31)14-18(30)16-5-7-17(8-6-16)35-23-21(29(32)33)22(25-15-26-23)28-12-10-27(11-13-28)19-4-2-3-9-24-19/h2-9,15H,10-14H2,1H3