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

Systemtic Name: 3-nitro-N-(5-oxidanylidene-2-phenethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzamide Openeye Name: 3-nitro-N-(5-oxo-2-phenethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzamide CAS Name: 3-nitro-N-(5-oxo-2-phenethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzamide IUPAC Name: 3-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)-3-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(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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