5-[(E)-2-(4-dimethylaminophenyl)ethenyl]-6-nitro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

Systemtic Name: 5-[(E)-2-(4-dimethylaminophenyl)ethenyl]-6-nitro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one Openeye Name: 5-[(E)-2-(4-dimethylaminophenyl)vinyl]-6-nitro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one CAS Name: 5-[(E)-2-(4-dimethylaminophenyl)ethenyl]-6-nitro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one IUPAC Name: 5-[(E)-2-(4-dimethylaminophenyl)ethenyl]-6-nitro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one Traditional Name: 5-[(E)-2-(4-dimethylaminophenyl)vinyl]-6-nitro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one Formula: C15H14N6O3 MolecularWeight: 326.31006

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C=CC2=C(C(=O)N3C(=N2)N=CN3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C15H14N6O3/c1-19(2)11-6-3-10(4-7-11)5-8-12-13(21(23)24)14(22)20-15(18-12)16-9-17-20/h3-9H,1-2H3,(H,16,17,18)/b8-5+