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

Systemtic Name: 6-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-5-nitro-4-oxidanylidene-1H-pyrimidin-2-olate Openeye Name: 6-[(E)-2-[4-(diethylamino)phenyl]vinyl]-5-nitro-4-oxo-1H-pyrimidin-2-olate CAS Name: 6-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-5-nitro-4-oxo-1H-pyrimidin-2-olate IUPAC Name: 6-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-5-nitro-4-oxo-1H-pyrimidin-2-olate Traditional Name: 6-[(E)-2-[4-(diethylamino)phenyl]vinyl]-4-keto-5-nitro-1H-pyrimidin-2-olate Formula: C16H17N4O4- MolecularWeight: 329.33058

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N4O4/c1-3-19(4-2)12-8-5-11(6-9-12)7-10-13-14(20(23)24)15(21)18-16(22)17-13/h5-10H,3-4H2,1-2H3,(H2,17,18,21,22)/p-1/b10-7+