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

Systemtic Name: 2-[(E)-2-[3-bromanyl-4-(diethylamino)phenyl]ethenyl]-5-nitro-4-oxidanyl-1H-pyrimidin-6-one Openeye Name: 2-[(E)-2-[3-bromo-4-(diethylamino)phenyl]vinyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one CAS Name: 2-[(E)-2-[3-bromo-4-(diethylamino)phenyl]ethenyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one IUPAC Name: 2-[(E)-2-[3-bromo-4-(diethylamino)phenyl]ethenyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one Traditional Name: 2-[(E)-2-[3-bromo-4-(diethylamino)phenyl]vinyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one Formula: C16H17BrN4O4 MolecularWeight: 409.23458

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17BrN4O4/c1-3-20(4-2)12-7-5-10(9-11(12)17)6-8-13-18-15(22)14(21(24)25)16(23)19-13/h5-9H,3-4H2,1-2H3,(H2,18,19,22,23)/b8-6+