6-[(E)-2-[3-bromanyl-4-(diethylamino)phenyl]ethenyl]-5-nitro-4-oxidanylidene-1H-pyrimidin-2-olate

Systemtic Name: 6-[(E)-2-[3-bromanyl-4-(diethylamino)phenyl]ethenyl]-5-nitro-4-oxidanylidene-1H-pyrimidin-2-olate Openeye Name: 6-[(E)-2-[3-bromo-4-(diethylamino)phenyl]vinyl]-5-nitro-4-oxo-1H-pyrimidin-2-olate CAS Name: 6-[(E)-2-[3-bromo-4-(diethylamino)phenyl]ethenyl]-5-nitro-4-oxo-1H-pyrimidin-2-olate IUPAC Name: 6-[(E)-2-[3-bromo-4-(diethylamino)phenyl]ethenyl]-5-nitro-4-oxo-1H-pyrimidin-2-olate Traditional Name: 6-[(E)-2-[3-bromo-4-(diethylamino)phenyl]vinyl]-4-keto-5-nitro-1H-pyrimidin-2-olate Formula: C16H16BrN4O4- MolecularWeight: 408.22664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17BrN4O4/c1-3-20(4-2)13-8-6-10(9-11(13)17)5-7-12-14(21(24)25)15(22)19-16(23)18-12/h5-9H,3-4H2,1-2H3,(H2,18,19,22,23)/p-1/b7-5+