[3-oxidanyl-5-[2-oxidanylidene-4-(3-phenylpropanoylamino)pyrimidin-1-yl]oxolan-2-yl]methyl 4-nitrobenzoate

Systemtic Name: [3-oxidanyl-5-[2-oxidanylidene-4-(3-phenylpropanoylamino)pyrimidin-1-yl]oxolan-2-yl]methyl 4-nitrobenzoate Openeye Name: [3-hydroxy-5-[2-oxo-4-(3-phenylpropanoylamino)pyrimidin-1-yl]tetrahydrofuran-2-yl]methyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [3-hydroxy-5-[2-oxo-4-[(1-oxo-3-phenylpropyl)amino]-1-pyrimidinyl]-2-oxolanyl]methyl ester IUPAC Name: [3-hydroxy-5-[2-oxo-4-(3-phenylpropanoylamino)pyrimidin-1-yl]oxolan-2-yl]methyl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [5-[4-(hydrocinnamoylamino)-2-keto-pyrimidin-1-yl]-3-hydroxy-tetrahydrofuran-2-yl]methyl ester Formula: C25H24N4O8 MolecularWeight: 508.48006

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC1N2C=CC(=NC2=O)NC(=O)CCC3=CC=CC=C3)COC(=O)C4=CC=C(C=C4)[N+](=O)[O-])O

Isomeric SMILES

C1C(C(OC1N2C=CC(=NC2=O)NC(=O)CCC3=CC=CC=C3)COC(=O)C4=CC=C(C=C4)[N+](=O)[O-])O

InChI

InChI=1S/C25H24N4O8/c30-19-14-23(37-20(19)15-36-24(32)17-7-9-18(10-8-17)29(34)35)28-13-12-21(27-25(28)33)26-22(31)11-6-16-4-2-1-3-5-16/h1-5,7-10,12-13,19-20,23,30H,6,11,14-15H2,(H,26,27,31,33)