4-chloranyl-2-[(4S)-5-methoxycarbonyl-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-4-yl]-6-nitro-phenolate

Systemtic Name: 4-chloranyl-2-[(4S)-5-methoxycarbonyl-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-4-yl]-6-nitro-phenolate Openeye Name: 4-chloro-2-[(4S)-5-methoxycarbonyl-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl]-6-nitro-phenolate CAS Name: 4-chloro-2-[(4S)-5-methoxycarbonyl-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl]-6-nitrophenolate IUPAC Name: 4-chloro-2-[(4S)-5-methoxycarbonyl-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl]-6-nitrophenolate Traditional Name: 2-[(4S)-5-carbomethoxy-2-keto-6-methyl-3,4-dihydro-1H-pyrimidin-4-yl]-4-chloro-6-nitro-phenolate Formula: C13H11ClN3O6- MolecularWeight: 340.69594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=O)N1)C2=CC(=CC(=C2[O-])[N+](=O)[O-])Cl)C(=O)OC

Isomeric SMILES

CC1=C([C@@H](NC(=O)N1)C2=CC(=CC(=C2[O-])[N+](=O)[O-])Cl)C(=O)OC

InChI

InChI=1S/C13H12ClN3O6/c1-5-9(12(19)23-2)10(16-13(20)15-5)7-3-6(14)4-8(11(7)18)17(21)22/h3-4,10,18H,1-2H3,(H2,15,16,20)/p-1/t10-/m0/s1