N-[4-[(2S)-butan-2-yl]phenyl]-2-[(5-nitro-6-oxidanylidene-1H-pyrimidin-4-yl)oxy]ethanamide

Systemtic Name: N-[4-[(2S)-butan-2-yl]phenyl]-2-[(5-nitro-6-oxidanylidene-1H-pyrimidin-4-yl)oxy]ethanamide Openeye Name: N-[4-[(1S)-1-methylpropyl]phenyl]-2-[(5-nitro-6-oxo-1H-pyrimidin-4-yl)oxy]acetamide CAS Name: N-[4-[(2S)-butan-2-yl]phenyl]-2-[(5-nitro-6-oxo-1H-pyrimidin-4-yl)oxy]acetamide IUPAC Name: N-[4-[(2S)-butan-2-yl]phenyl]-2-[(5-nitro-6-oxo-1H-pyrimidin-4-yl)oxy]acetamide Traditional Name: 2-[(6-keto-5-nitro-1H-pyrimidin-4-yl)oxy]-N-[4-[(1S)-1-methylpropyl]phenyl]acetamide Formula: C16H18N4O5 MolecularWeight: 346.33792

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)NC(=O)COC2=C(C(=O)NC=N2)[N+](=O)[O-]

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)NC(=O)COC2=C(C(=O)NC=N2)[N+](=O)[O-]

InChI

InChI=1S/C16H18N4O5/c1-3-10(2)11-4-6-12(7-5-11)19-13(21)8-25-16-14(20(23)24)15(22)17-9-18-16/h4-7,9-10H,3,8H2,1-2H3,(H,19,21)(H,17,18,22)/t10-/m0/s1