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

Systemtic Name: 4-[(4S)-5-cyclopentyloxycarbonyl-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-4-yl]-2-methoxy-6-nitro-phenolate Openeye Name: 4-[(4S)-5-(cyclopentoxycarbonyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl]-2-methoxy-6-nitro-phenolate CAS Name: 4-[(4S)-5-[cyclopentyloxy(oxo)methyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl]-2-methoxy-6-nitrophenolate IUPAC Name: 4-[(4S)-5-cyclopentyloxycarbonyl-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl]-2-methoxy-6-nitrophenolate Traditional Name: 4-[(4S)-5-(cyclopentoxycarbonyl)-2-keto-6-methyl-3,4-dihydro-1H-pyrimidin-4-yl]-2-methoxy-6-nitro-phenolate Formula: C18H20N3O7- MolecularWeight: 390.3673

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=O)N1)C2=CC(=C(C(=C2)OC)[O-])[N+](=O)[O-])C(=O)OC3CCCC3

Isomeric SMILES

CC1=C([C@@H](NC(=O)N1)C2=CC(=C(C(=C2)OC)[O-])[N+](=O)[O-])C(=O)OC3CCCC3

InChI

InChI=1S/C18H21N3O7/c1-9-14(17(23)28-11-5-3-4-6-11)15(20-18(24)19-9)10-7-12(21(25)26)16(22)13(8-10)27-2/h7-8,11,15,22H,3-6H2,1-2H3,(H2,19,20,24)/p-1/t15-/m0/s1