5-[(E)-2-[3,5-bis(bromanyl)-2-oxidanyl-phenyl]ethenyl]-6-nitro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

Systemtic Name: 5-[(E)-2-[3,5-bis(bromanyl)-2-oxidanyl-phenyl]ethenyl]-6-nitro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one Openeye Name: 5-[(E)-2-(3,5-dibromo-2-hydroxy-phenyl)vinyl]-6-nitro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one CAS Name: 5-[(E)-2-(3,5-dibromo-2-hydroxyphenyl)ethenyl]-6-nitro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one IUPAC Name: 5-[(E)-2-(3,5-dibromo-2-hydroxyphenyl)ethenyl]-6-nitro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one Traditional Name: 5-[(E)-2-(3,5-dibromo-2-hydroxy-phenyl)vinyl]-6-nitro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one Formula: C13H7Br2N5O4 MolecularWeight: 457.03378

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1Br)O)C=CC2=C(C(=O)N3C(=N2)N=CN3)[N+](=O)[O-])Br

Isomeric SMILES

C1=C(C=C(C(=C1Br)O)/C=C/C2=C(C(=O)N3C(=N2)N=CN3)[N+](=O)[O-])Br

InChI

InChI=1S/C13H7Br2N5O4/c14-7-3-6(11(21)8(15)4-7)1-2-9-10(20(23)24)12(22)19-13(18-9)16-5-17-19/h1-5,21H,(H,16,17,18)/b2-1+