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4-nitro-N-(5-oxidanylidene-2-phenethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzamide

4-nitro-N-(5-oxidanylidene-2-phenethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzamide

Systemtic Name:4-nitro-N-(5-oxidanylidene-2-phenethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzamide
Openeye Name:4-nitro-N-(5-oxo-2-phenethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzamide
CAS Name:4-nitro-N-(5-oxo-2-phenethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzamide
IUPAC Name:4-nitro-N-(5-oxo-2-phenethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzamide
Traditional Name:N-(5-keto-2-phenethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-4-nitro-benzamide
Formula: C20H16N6O4
MolecularWeight: 404.37884
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC2=NC3=NC(=O)C=C(N3N2)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]


Isomeric SMILES

C1=CC=C(C=C1)CCC2=NC3=NC(=O)C=C(N3N2)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]


InChI

InChI=1S/C20H16N6O4/c27-18-12-17(22-19(28)14-7-9-15(10-8-14)26(29)30)25-20(23-18)21-16(24-25)11-6-13-4-2-1-3-5-13/h1-5,7-10,12H,6,11H2,(H,22,28)(H,21,23,24,27)


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