5-methyl-3-(3-nitrophenyl)-1H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one

Systemtic Name: 5-methyl-3-(3-nitrophenyl)-1H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one Openeye Name: 5-methyl-3-(3-nitrophenyl)-1H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one CAS Name: 5-methyl-3-(3-nitrophenyl)-1H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one IUPAC Name: 5-methyl-3-(3-nitrophenyl)-1H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one Traditional Name: 5-methyl-3-(3-nitrophenyl)-1H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one Formula: C12H9N5O3 MolecularWeight: 271.23156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N=C2N1C(=NN2)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=O)N=C2N1C(=NN2)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C12H9N5O3/c1-7-5-10(18)13-12-15-14-11(16(7)12)8-3-2-4-9(6-8)17(19)20/h2-6H,1H3,(H,13,15,18)