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

Systemtic Name: 4-[(4S)-5-cyclohexyloxycarbonyl-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-4-yl]-2-nitro-phenolate Openeye Name: 4-[(4S)-5-(cyclohexoxycarbonyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl]-2-nitro-phenolate CAS Name: 4-[(4S)-5-[cyclohexyloxy(oxo)methyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl]-2-nitrophenolate IUPAC Name: 4-[(4S)-5-cyclohexyloxycarbonyl-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl]-2-nitrophenolate Traditional Name: 4-[(4S)-5-(cyclohexoxycarbonyl)-2-keto-6-methyl-3,4-dihydro-1H-pyrimidin-4-yl]-2-nitro-phenolate Formula: C18H20N3O6- MolecularWeight: 374.3679

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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)OC3CCCCC3

Isomeric SMILES

CC1=C([C@@H](NC(=O)N1)C2=CC(=C(C=C2)[O-])[N+](=O)[O-])C(=O)OC3CCCCC3

InChI

InChI=1S/C18H21N3O6/c1-10-15(17(23)27-12-5-3-2-4-6-12)16(20-18(24)19-10)11-7-8-14(22)13(9-11)21(25)26/h7-9,12,16,22H,2-6H2,1H3,(H2,19,20,24)/p-1/t16-/m0/s1