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

Systemtic Name: 2-[(4S)-5-ethanoyl-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-4-yl]-6-nitro-phenolate Openeye Name: 2-[(4S)-5-acetyl-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl]-6-nitro-phenolate CAS Name: 2-[(4S)-5-acetyl-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl]-6-nitrophenolate IUPAC Name: 2-[(4S)-5-acetyl-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl]-6-nitrophenolate Traditional Name: 2-[(4S)-5-acetyl-2-keto-6-methyl-3,4-dihydro-1H-pyrimidin-4-yl]-6-nitro-phenolate Formula: C13H12N3O5- MolecularWeight: 290.25148

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13N3O5/c1-6-10(7(2)17)11(15-13(19)14-6)8-4-3-5-9(12(8)18)16(20)21/h3-5,11,18H,1-2H3,(H2,14,15,19)/p-1/t11-/m0/s1