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

Systemtic Name: 4-[(4R)-6-methyl-5-[(2S)-2-methylpentoxy]carbonyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-4-yl]-2-nitro-phenolate Openeye Name: 4-[(4R)-6-methyl-5-[(2S)-2-methylpentoxy]carbonyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl]-2-nitro-phenolate CAS Name: 4-[(4R)-6-methyl-5-[[(2S)-2-methylpentoxy]-oxomethyl]-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl]-2-nitrophenolate IUPAC Name: 4-[(4R)-6-methyl-5-[(2S)-2-methylpentoxy]carbonyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl]-2-nitrophenolate Traditional Name: 4-[(4R)-2-keto-6-methyl-5-[(2S)-2-methylpentoxy]carbonyl-3,4-dihydro-1H-pyrimidin-4-yl]-2-nitro-phenolate Formula: C18H22N3O6- MolecularWeight: 376.38378

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)COC(=O)C1=C(NC(=O)NC1C2=CC(=C(C=C2)[O-])[N+](=O)[O-])C

Isomeric SMILES

CCC[C@H](C)COC(=O)C1=C(NC(=O)N[C@@H]1C2=CC(=C(C=C2)[O-])[N+](=O)[O-])C

InChI

InChI=1S/C18H23N3O6/c1-4-5-10(2)9-27-17(23)15-11(3)19-18(24)20-16(15)12-6-7-14(22)13(8-12)21(25)26/h6-8,10,16,22H,4-5,9H2,1-3H3,(H2,19,20,24)/p-1/t10-,16+/m0/s1