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

Systemtic Name: 4-[(4S)-5-cyclooctyloxycarbonyl-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-4-yl]-2-nitro-phenolate Openeye Name: 4-[(4S)-5-(cyclooctoxycarbonyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl]-2-nitro-phenolate CAS Name: 4-[(4S)-5-[cyclooctyloxy(oxo)methyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl]-2-nitrophenolate IUPAC Name: 4-[(4S)-5-cyclooctyloxycarbonyl-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl]-2-nitrophenolate Traditional Name: 4-[(4S)-5-(cyclooctoxycarbonyl)-2-keto-6-methyl-3,4-dihydro-1H-pyrimidin-4-yl]-2-nitro-phenolate Formula: C20H24N3O6- MolecularWeight: 402.42106

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=O)N1)C2=CC(=C(C=C2)[O-])[N+](=O)[O-])C(=O)OC3CCCCCCC3

Isomeric SMILES

CC1=C([C@@H](NC(=O)N1)C2=CC(=C(C=C2)[O-])[N+](=O)[O-])C(=O)OC3CCCCCCC3

InChI

InChI=1S/C20H25N3O6/c1-12-17(19(25)29-14-7-5-3-2-4-6-8-14)18(22-20(26)21-12)13-9-10-16(24)15(11-13)23(27)28/h9-11,14,18,24H,2-8H2,1H3,(H2,21,22,26)/p-1/t18-/m0/s1