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

Systemtic Name: 2-[(E)-2-[4-(dipropylamino)phenyl]ethenyl]-5-nitro-4-oxidanyl-1H-pyrimidin-6-one Openeye Name: 2-[(E)-2-[4-(dipropylamino)phenyl]vinyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one CAS Name: 2-[(E)-2-[4-(dipropylamino)phenyl]ethenyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one IUPAC Name: 2-[(E)-2-[4-(dipropylamino)phenyl]ethenyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one Traditional Name: 2-[(E)-2-[4-(dipropylamino)phenyl]vinyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one Formula: C18H22N4O4 MolecularWeight: 358.39168

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C1=CC=C(C=C1)C=CC2=NC(=C(C(=O)N2)[N+](=O)[O-])O

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4O4/c1-3-11-21(12-4-2)14-8-5-13(6-9-14)7-10-15-19-17(23)16(22(25)26)18(24)20-15/h5-10H,3-4,11-12H2,1-2H3,(H2,19,20,23,24)/b10-7+