[(3S,6S)-6-(4-acetamido-2-oxidanylidene-pyrimidin-1-yl)-3,6-dihydro-2H-pyran-3-yl] 4-nitrobenzoate

Systemtic Name: [(3S,6S)-6-(4-acetamido-2-oxidanylidene-pyrimidin-1-yl)-3,6-dihydro-2H-pyran-3-yl] 4-nitrobenzoate Openeye Name: [(3S,6S)-6-(4-acetamido-2-oxo-pyrimidin-1-yl)-3,6-dihydro-2H-pyran-3-yl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(3S,6S)-6-(4-acetamido-2-oxo-1-pyrimidinyl)-3,6-dihydro-2H-pyran-3-yl] ester IUPAC Name: [(3S,6S)-6-(4-acetamido-2-oxopyrimidin-1-yl)-3,6-dihydro-2H-pyran-3-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(3S,6S)-6-(4-acetamido-2-keto-pyrimidin-1-yl)-3,6-dihydro-2H-pyran-3-yl] ester Formula: C18H16N4O7 MolecularWeight: 400.34224

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC(=O)N(C=C1)C2C=CC(CO2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=NC(=O)N(C=C1)[C@@H]2C=C[C@@H](CO2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H16N4O7/c1-11(23)19-15-8-9-21(18(25)20-15)16-7-6-14(10-28-16)29-17(24)12-2-4-13(5-3-12)22(26)27/h2-9,14,16H,10H2,1H3,(H,19,20,23,25)/t14-,16-/m0/s1