methyl 3-[4-[6-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]oxyphenyl]-3-oxidanylidene-propanoate

Systemtic Name: methyl 3-[4-[6-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]oxyphenyl]-3-oxidanylidene-propanoate Openeye Name: methyl 3-[4-[6-[4-(furan-2-carbonyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]oxyphenyl]-3-oxo-propanoate CAS Name: 3-[4-[[6-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]-5-nitro-4-pyrimidinyl]oxy]phenyl]-3-oxopropanoic acid methyl ester IUPAC Name: methyl 3-[4-[6-[4-(furan-2-carbonyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]oxyphenyl]-3-oxopropanoate Traditional Name: 3-[4-[6-[4-(2-furoyl)piperazino]-5-nitro-pyrimidin-4-yl]oxyphenyl]-3-keto-propionic acid methyl ester Formula: C23H21N5O8 MolecularWeight: 495.44154

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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)C(=O)C4=CC=CO4

Isomeric SMILES

COC(=O)CC(=O)C1=CC=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C(=O)C4=CC=CO4

InChI

InChI=1S/C23H21N5O8/c1-34-19(30)13-17(29)15-4-6-16(7-5-15)36-22-20(28(32)33)21(24-14-25-22)26-8-10-27(11-9-26)23(31)18-3-2-12-35-18/h2-7,12,14H,8-11,13H2,1H3