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

Systemtic Name: [(3S)-4-(4-benzamido-2-oxidanylidene-pyrimidin-1-yl)-3,4-dihydro-2H-pyran-3-yl] 4-nitrobenzoate Openeye Name: [(3S)-4-(4-benzamido-2-oxo-pyrimidin-1-yl)-3,4-dihydro-2H-pyran-3-yl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(3S)-4-(4-benzamido-2-oxo-1-pyrimidinyl)-3,4-dihydro-2H-pyran-3-yl] ester IUPAC Name: [(3S)-4-(4-benzamido-2-oxopyrimidin-1-yl)-3,4-dihydro-2H-pyran-3-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(3S)-4-(4-benzamido-2-keto-pyrimidin-1-yl)-3,4-dihydro-2H-pyran-3-yl] ester Formula: C23H18N4O7 MolecularWeight: 462.41162

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C=CO1)N2C=CC(=NC2=O)NC(=O)C3=CC=CC=C3)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1[C@H](C(C=CO1)N2C=CC(=NC2=O)NC(=O)C3=CC=CC=C3)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H18N4O7/c28-21(15-4-2-1-3-5-15)24-20-10-12-26(23(30)25-20)18-11-13-33-14-19(18)34-22(29)16-6-8-17(9-7-16)27(31)32/h1-13,18-19H,14H2,(H,24,25,28,30)/t18?,19-/m1/s1