methyl 3-[4-(6-morpholin-4-yl-5-nitro-pyrimidin-4-yl)oxyphenyl]-3-oxidanylidene-propanoate

Systemtic Name: methyl 3-[4-(6-morpholin-4-yl-5-nitro-pyrimidin-4-yl)oxyphenyl]-3-oxidanylidene-propanoate Openeye Name: methyl 3-[4-(6-morpholino-5-nitro-pyrimidin-4-yl)oxyphenyl]-3-oxo-propanoate CAS Name: 3-[4-[[6-(4-morpholinyl)-5-nitro-4-pyrimidinyl]oxy]phenyl]-3-oxopropanoic acid methyl ester IUPAC Name: methyl 3-[4-(6-morpholin-4-yl-5-nitropyrimidin-4-yl)oxyphenyl]-3-oxopropanoate Traditional Name: 3-keto-3-[4-(6-morpholino-5-nitro-pyrimidin-4-yl)oxyphenyl]propionic acid methyl ester Formula: C18H18N4O7 MolecularWeight: 402.35812

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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-])N3CCOCC3

Isomeric SMILES

COC(=O)CC(=O)C1=CC=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])N3CCOCC3

InChI

InChI=1S/C18H18N4O7/c1-27-15(24)10-14(23)12-2-4-13(5-3-12)29-18-16(22(25)26)17(19-11-20-18)21-6-8-28-9-7-21/h2-5,11H,6-10H2,1H3