6-[(E)-2-[4-(2-methylpropoxy)phenyl]ethenyl]-5-nitro-4-oxidanylidene-1H-pyrimidin-2-olate

Systemtic Name: 6-[(E)-2-[4-(2-methylpropoxy)phenyl]ethenyl]-5-nitro-4-oxidanylidene-1H-pyrimidin-2-olate Openeye Name: 6-[(E)-2-(4-isobutoxyphenyl)vinyl]-5-nitro-4-oxo-1H-pyrimidin-2-olate CAS Name: 6-[(E)-2-[4-(2-methylpropoxy)phenyl]ethenyl]-5-nitro-4-oxo-1H-pyrimidin-2-olate IUPAC Name: 6-[(E)-2-[4-(2-methylpropoxy)phenyl]ethenyl]-5-nitro-4-oxo-1H-pyrimidin-2-olate Traditional Name: 6-[(E)-2-(4-isobutoxyphenyl)vinyl]-4-keto-5-nitro-1H-pyrimidin-2-olate Formula: C16H16N3O5- MolecularWeight: 330.31534

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=C(C=C1)C=CC2=C(C(=O)N=C(N2)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(C)COC1=CC=C(C=C1)/C=C/C2=C(C(=O)N=C(N2)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H17N3O5/c1-10(2)9-24-12-6-3-11(4-7-12)5-8-13-14(19(22)23)15(20)18-16(21)17-13/h3-8,10H,9H2,1-2H3,(H2,17,18,20,21)/p-1/b8-5+